1YI4
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![BU of 1yi4 by Molmil](/molmil-images/mine/1yi4) | Structure of Pim-1 bound to adenosine | Descriptor: | ADENOSINE, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | Deposit date: | 2005-01-11 | Release date: | 2005-01-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002. J.Biol.Chem., 280, 2005
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3ZZW
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![BU of 3zzw by Molmil](/molmil-images/mine/3zzw) | Crystal structure of the kinase domain of ROR2 | Descriptor: | CHLORIDE ION, SULFATE ION, TYROSINE-PROTEIN KINASE TRANSMEMBRANE RECEPTOR ROR2 | Authors: | Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Karlberg, T, Nyman, T, Schuler, H, Thorsell, A.G, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2011-09-05 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of the Kinase Domain of Ror2 To be Published
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4A4B
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![BU of 4a4b by Molmil](/molmil-images/mine/4a4b) | Structure of modified phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex | Descriptor: | CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ... | Authors: | Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T. | Deposit date: | 2011-10-08 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.789 Å) | Cite: | Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl Nat.Struct.Mol.Biol., 19, 2012
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3UO3
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![BU of 3uo3 by Molmil](/molmil-images/mine/3uo3) | Jac1 co-chaperone from Saccharomyces cerevisiae, 5-182 clone | Descriptor: | ACETATE ION, J-type co-chaperone JAC1, mitochondrial | Authors: | Osipiuk, J, Bigelow, L, Mulligan, R, Feldmann, B, Babnigg, G, Marszalek, J, Craig, E.A, Dutkiewicz, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-11-16 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Interaction of j-protein co-chaperone jac1 with fe-s scaffold isu is indispensable in vivo and conserved in evolution. J.Mol.Biol., 417, 2012
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3UOB
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3V6J
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![BU of 3v6j by Molmil](/molmil-images/mine/3v6j) | Replication of N2,3-Ethenoguanine by DNA Polymerases | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*(DOC))-3'), DNA (5'-D(*TP*CP*AP*TP*(EFG)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*C)-3'), ... | Authors: | Zhao, L. | Deposit date: | 2011-12-19 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Replication of n(2) ,3-ethenoguanine by DNA polymerases. Angew.Chem.Int.Ed.Engl., 51, 2012
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1DT9
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3UQ6
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![BU of 3uq6 by Molmil](/molmil-images/mine/3uq6) | Adenosine kinase from Schistosoma mansoni in complex with adenosine and AMP | Descriptor: | ADENOSINE, ADENOSINE MONOPHOSPHATE, Adenosine kinase, ... | Authors: | Romanello, L, Cassago, A, Bachega, F.R, Garatt, R.C, DeMarco, R, Pereira, H.M. | Deposit date: | 2011-11-19 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues. Acta Crystallogr.,Sect.D, 69, 2013
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3V0J
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![BU of 3v0j by Molmil](/molmil-images/mine/3v0j) | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), Deletion of 401-405 | Descriptor: | PHOSPHATE ION, Voltage-sensor containing phosphatase | Authors: | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | Deposit date: | 2011-12-08 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A glutamate switch controls voltage-sensitive phosphatase function. Nat.Struct.Mol.Biol., 19, 2012
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3UQR
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![BU of 3uqr by Molmil](/molmil-images/mine/3uqr) | Crystal structure of BACE1 with its inhibitor | Descriptor: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | Deposit date: | 2011-11-21 | Release date: | 2012-11-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.056 Å) | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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5A0B
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![BU of 5a0b by Molmil](/molmil-images/mine/5a0b) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | Deposit date: | 2015-04-17 | Release date: | 2015-08-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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3UUO
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![BU of 3uuo by Molmil](/molmil-images/mine/3uuo) | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | Descriptor: | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R. | Deposit date: | 2011-11-28 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
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3V0S
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![BU of 3v0s by Molmil](/molmil-images/mine/3v0s) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-08 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.773 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
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3UU5
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![BU of 3uu5 by Molmil](/molmil-images/mine/3uu5) | The GLIC pentameric Ligand-Gated Ion Channel Loop2-20' mutant reduced in solution | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | Deposit date: | 2011-11-28 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nat.Struct.Mol.Biol., 19, 2012
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3V49
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![BU of 3v49 by Molmil](/molmil-images/mine/3v49) | Structure of ar lbd with activator peptide and sarm inhibitor 1 | Descriptor: | 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, activator peptide, ... | Authors: | Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.-M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. | Deposit date: | 2011-12-14 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of diarylhydantoins as new selective androgen receptor modulators. J.Med.Chem., 55, 2012
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3UYI
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![BU of 3uyi by Molmil](/molmil-images/mine/3uyi) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | Perakine reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-06 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
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3V0E
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![BU of 3v0e by Molmil](/molmil-images/mine/3v0e) | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 256-576(C363S) | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | Deposit date: | 2011-12-07 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A glutamate switch controls voltage-sensitive phosphatase function. Nat.Struct.Mol.Biol., 19, 2012
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3V0H
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![BU of 3v0h by Molmil](/molmil-images/mine/3v0h) | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), complexed with D-MYO-inositol-1,4,5-triphosphate | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Voltage-sensor containing phosphatase | Authors: | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | Deposit date: | 2011-12-08 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A glutamate switch controls voltage-sensitive phosphatase function. Nat.Struct.Mol.Biol., 19, 2012
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1YHS
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![BU of 1yhs by Molmil](/molmil-images/mine/1yhs) | Crystal structure of Pim-1 bound to staurosporine | Descriptor: | Proto-oncogene serine/threonine-protein kinase Pim-1, STAUROSPORINE | Authors: | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | Deposit date: | 2005-01-10 | Release date: | 2005-01-25 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002. J.Biol.Chem., 280, 2005
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4AA7
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![BU of 4aa7 by Molmil](/molmil-images/mine/4aa7) | E.coli GlmU in complex with an antibacterial inhibitor | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide, SULFATE ION | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | Deposit date: | 2011-11-30 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
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4AAW
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![BU of 4aaw by Molmil](/molmil-images/mine/4aaw) | S.pneumoniae GlmU in complex with an antibacterial inhibitor | Descriptor: | 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid, BIFUNCTIONAL PROTEIN GLMU, SULFATE ION | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | Deposit date: | 2011-12-05 | Release date: | 2012-02-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
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1ZAC
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![BU of 1zac by Molmil](/molmil-images/mine/1zac) | N-DOMAIN OF TROPONIN C FROM CHICKEN SKELETAL MUSCLE, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | TROPONIN-C | Authors: | Tsuda, S, Miura, A, Gagne, S.M, Spyracopoulos, L, Sykes, B.D. | Deposit date: | 1998-04-07 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Low-temperature-induced structural changes in the Apo regulatory domain of skeletal muscle troponin C. Biochemistry, 38, 1999
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4A3S
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![BU of 4a3s by Molmil](/molmil-images/mine/4a3s) | Crystal structure of PFK from Bacillus subtilis | Descriptor: | 6-PHOSPHOFRUCTOKINASE | Authors: | Newman, J.A, Hewitt, L, Rodrigues, C, Solovyova, A.S, Harwood, C.R, Lewis, R.J. | Deposit date: | 2011-10-04 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dissection of the Network of Interactions that Links RNA Processing with Glycolysis in the Bacillus Subtilis Degradosome. J.Mol.Biol., 416, 2012
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1ZII
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1ZIJ
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