2VO7
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![BU of 2vo7 by Molmil](/molmil-images/mine/2vo7) | Structure of PKA complexed with 4-(4-Chlorobenzyl)-1-(7H-pyrrolo(2,3- d)pyrimidin-4-yl)piperidin-4-ylamine | Descriptor: | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2015-04-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
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2VNY
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![BU of 2vny by Molmil](/molmil-images/mine/2vny) | Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine | Descriptor: | 1-(9H-purin-6-yl)piperidin-4-amine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
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2VO0
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![BU of 2vo0 by Molmil](/molmil-images/mine/2vo0) | Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, ... | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
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4CXI
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![BU of 4cxi by Molmil](/molmil-images/mine/4cxi) | BTB domain of KEAP1 | Descriptor: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G. | Deposit date: | 2014-04-07 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo. Plos One, 9, 2014
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6OLT
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![BU of 6olt by Molmil](/molmil-images/mine/6olt) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-17 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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6OKF
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![BU of 6okf by Molmil](/molmil-images/mine/6okf) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-12 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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2P82
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![BU of 2p82 by Molmil](/molmil-images/mine/2p82) | Cysteine protease ATG4A | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cysteine protease ATG4A | Authors: | Walker, J.R, Davis, T, Mujib, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-03-21 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human cysteine protease ATG4A To be Published
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2PNY
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![BU of 2pny by Molmil](/molmil-images/mine/2pny) | Structure of Human Isopentenyl-diphosphate Delta-isomerase 2 | Descriptor: | CALCIUM ION, GLYCEROL, Isopentenyl-diphosphate Delta-isomerase 2, ... | Authors: | Walker, J.R, Davis, T, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-04-25 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure of the human Isopentenyl-diphosphate Delta-isomerase 2. To be Published
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6OKC
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![BU of 6okc by Molmil](/molmil-images/mine/6okc) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-12 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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6OKG
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![BU of 6okg by Molmil](/molmil-images/mine/6okg) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-12 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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7SQI
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![BU of 7sqi by Molmil](/molmil-images/mine/7sqi) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C14-crypto Acyl Carrier Protein, AcpP | Descriptor: | Acyl carrier protein, Beta-ketoacyl-ACP synthase I, N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Chen, A, Mindrebo, J.T, Davis, T.D, Noel, J.P, Burkart, M.D. | Deposit date: | 2021-11-05 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states. Acta Crystallogr D Struct Biol, 78, 2022
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3P4Q
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![BU of 3p4q by Molmil](/molmil-images/mine/3p4q) | Crystal structure of Menaquinol:oxidoreductase in complex with oxaloacetate | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Tomasiak, T.M, Archuleta, T.L, Andrell, J, Luna-Chavez, C, Davis, T.A, Sarwar, M, Ham, A.J, McDonald, W.H, Yankowskaya, V, Stern, H.A, Johnston, J.N, Maklashina, E, Cecchini, G, Iverson, T.M. | Deposit date: | 2010-10-06 | Release date: | 2010-12-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase. J.Biol.Chem., 286, 2011
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3P4R
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![BU of 3p4r by Molmil](/molmil-images/mine/3p4r) | Crystal structure of Menaquinol:fumarate oxidoreductase in complex with glutarate | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Tomasiak, T.M, Archuleta, T.L, Andrell, J, Luna-Chavez, C, Davis, T.A, Sarwar, M, Ham, A.J, McDonald, W.H, Yankowskaya, V, Stern, H.A, Johnston, J.N, Maklashina, E, Cecchini, G, Iverson, T.M. | Deposit date: | 2010-10-07 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase. J.Biol.Chem., 286, 2011
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3P4S
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![BU of 3p4s by Molmil](/molmil-images/mine/3p4s) | Crystal structure of Menaquinol:fumarate oxidoreductase in complex with a 3-nitropropionate adduct | Descriptor: | 3-NITROPROPANOIC ACID, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Tomasiak, T.M, Archuleta, T.L, Andrell, J, Luna-Chavez, C, Davis, T.A, Sarwar, M, Ham, A.J, McDonald, W.H, Yankowskaya, V, Stern, H.A, Johnston, J.N, Maklashina, E, Cecchini, G, Iverson, T.M. | Deposit date: | 2010-10-07 | Release date: | 2010-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase. J.Biol.Chem., 286, 2011
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3P4P
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![BU of 3p4p by Molmil](/molmil-images/mine/3p4p) | Crystal structure of Menaquinol:fumarate oxidoreductase in complex with fumarate | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Tomasiak, T.M, Archuleta, T.L, Andr ll, J, Luna-Ch vez, C, Davis, T.A, Sarwar, M, Ham, A.J, McDonald, W.H, Yankowskaya, V, Stern, H.A, Johnston, J.N, Maklashina, E, Cecchini, G, Iverson, T.M. | Deposit date: | 2010-10-06 | Release date: | 2010-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase. J.Biol.Chem., 286, 2011
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6KXE
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![BU of 6kxe by Molmil](/molmil-images/mine/6kxe) | The ishigamide ketosynthase/chain length factor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Ketosynthase, ... | Authors: | Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y. | Deposit date: | 2019-09-10 | Release date: | 2020-05-06 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural basis for selectivity in a highly reducing type II polyketide synthase. Nat.Chem.Biol., 16, 2020
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6KXD
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![BU of 6kxd by Molmil](/molmil-images/mine/6kxd) | The ishigamide ketosynthase/chain length factor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Ketosynthase, ... | Authors: | Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y. | Deposit date: | 2019-09-10 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for selectivity in a highly reducing type II polyketide synthase. Nat.Chem.Biol., 16, 2020
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6KXF
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![BU of 6kxf by Molmil](/molmil-images/mine/6kxf) | The ishigamide ketosynthase/chain length factor | Descriptor: | ACP, Ketosynthase, [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate | Authors: | Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y. | Deposit date: | 2019-09-10 | Release date: | 2020-05-06 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural basis for selectivity in a highly reducing type II polyketide synthase. Nat.Chem.Biol., 16, 2020
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2ESL
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![BU of 2esl by Molmil](/molmil-images/mine/2esl) | Human Cyclophilin C in Complex with Cyclosporin A | Descriptor: | CALCIUM ION, CYCLOSPORIN A, Peptidyl-prolyl cis-trans isomerase C, ... | Authors: | Walker, J.R, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-10-26 | Release date: | 2005-12-13 | Last modified: | 2018-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases. PLoS Biol., 8, 2010
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8DLE
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![BU of 8dle by Molmil](/molmil-images/mine/8dle) | Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP | Descriptor: | 1,2-ETHANEDIOL, 8-amino-7-oxononanoate synthase, Acyl carrier protein, ... | Authors: | Chen, A, Davis, T.D, Louie, G.V, Bowman, M.E, Noel, J.P, Burkart, M.D. | Deposit date: | 2022-07-07 | Release date: | 2023-07-12 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Visualizing the Interface of Biotin and Fatty Acid Biosynthesis through SuFEx Probes. J.Am.Chem.Soc., 146, 2024
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6U0J
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![BU of 6u0j by Molmil](/molmil-images/mine/6u0j) | Crosslinked Crystal Structure of Malonyl-CoA Acyl Carrier Protein Transacylase, FabD, and Acyl Carrier Protein, AcpP | Descriptor: | 1,2-ETHANEDIOL, Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase, ... | Authors: | Mindrebo, J.T, Misson, L, Davis, T.D, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-08-14 | Release date: | 2020-07-22 | Last modified: | 2020-10-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Interfacial plasticity facilitates high reaction rate of E. coli FAS malonyl-CoA:ACP transacylase, FabD. Proc.Natl.Acad.Sci.USA, 117, 2020
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2HQ6
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![BU of 2hq6 by Molmil](/molmil-images/mine/2hq6) | Structure of the Cyclophilin_CeCYP16-Like Domain of the Serologically Defined Colon Cancer Antigen 10 from Homo Sapiens | Descriptor: | GLYCEROL, IODIDE ION, Serologically defined colon cancer antigen 10 | Authors: | Walker, J.R, Davis, T, Paramanathan, R, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-07-18 | Release date: | 2006-08-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases. PLoS Biol., 8, 2010
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4V3A
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![BU of 4v3a by Molmil](/molmil-images/mine/4v3a) | Membrane bound pleurotolysin prepore (TMH1 lock) trapped with engineered disulphide cross-link | Descriptor: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | Authors: | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, CaradocDavies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | Deposit date: | 2014-10-17 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (15 Å) | Cite: | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin. Plos Biol., 13, 2015
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2GW2
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![BU of 2gw2 by Molmil](/molmil-images/mine/2gw2) | Crystal structure of the peptidyl-prolyl isomerase domain of human cyclophilin G | Descriptor: | Peptidyl-prolyl cis-trans isomerase G, UNKNOWN ATOM OR ION | Authors: | Bernstein, G, Tempel, W, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-05-03 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases. PLoS Biol., 8, 2010
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2HE9
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![BU of 2he9 by Molmil](/molmil-images/mine/2he9) | Structure of the peptidylprolyl isomerase domain of the human NK-tumour recognition protein | Descriptor: | NK-tumor recognition protein, SULFATE ION | Authors: | Walker, J.R, Davis, T, Newman, E.M, MacKenzie, F, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-06-21 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases. PLoS Biol., 8, 2010
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