5KKG
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![BU of 5kkg by Molmil](/molmil-images/mine/5kkg) | Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ... | Authors: | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | Deposit date: | 2016-06-21 | Release date: | 2017-07-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.608 Å) | Cite: | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases. J. Biol. Chem., 292, 2017
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5KLL
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![BU of 5kll by Molmil](/molmil-images/mine/5kll) | Crystal structure of 2-hydroxymuconate-6-semialdehyde derived tautomeric intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169D | Descriptor: | (3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, SODIUM ION | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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4RHC
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5KJ5
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![BU of 5kj5 by Molmil](/molmil-images/mine/5kj5) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ | Descriptor: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-17 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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4R6K
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![BU of 4r6k by Molmil](/molmil-images/mine/4r6k) | Crystal structure of ABC transporter substrate-binding protein YesO from Bacillus subtilis, TARGET EFI-510761, an open conformation | Descriptor: | SODIUM ION, SOLUTE-BINDING PROTEIN | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-08-25 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of transporter Yeso from Bacillus subtilis, Target Efi-510761 To be Published
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5KNG
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![BU of 5kng by Molmil](/molmil-images/mine/5kng) | CRYSTAL STRUCTURE OF ANTI-IL-13 DARPIN 6G9 | Descriptor: | DARPIN 6G9, GLYCEROL, PHOSPHATE ION | Authors: | Teplyakov, A, Malia, T, Obmolova, G, Gilliland, G. | Deposit date: | 2016-06-28 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Conformational flexibility of an anti-IL-13 DARPin. Protein Eng. Des. Sel., 30, 2017
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5KJP
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8RFM
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![BU of 8rfm by Molmil](/molmil-images/mine/8rfm) | Human NOQ1 enzyme in complex with NADH by serial crystallography | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | Deposit date: | 2023-12-13 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations. Protein Sci., 33, 2024
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4RHZ
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![BU of 4rhz by Molmil](/molmil-images/mine/4rhz) | Crystal structure of Cry23Aa1 and Cry37Aa1 binary protein complex | Descriptor: | CALCIUM ION, Cry23AA1, Cry37AA1, ... | Authors: | Rydel, T.J, Williams, J.M, Brown, G.R, Guzov, V.M, Sturman, E.J, Evdokimov, A. | Deposit date: | 2014-10-03 | Release date: | 2015-10-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Associated Bacillus thuringiensis Binary Protein Complex of Cry23Aa1 and Cry37Aa1: Crystal Structure, Insecticidal Data, and Pore Formation Modeling. To be Published
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7O3O
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![BU of 7o3o by Molmil](/molmil-images/mine/7o3o) | Structure of haloalkane dehalogenase mutant DhaA80(T148L, G171Q, A172V, C176F) from Rhodococcus rhodochrous with ionic liquid | Descriptor: | CHLORIDE ION, ETHANOLAMINE, Haloalkane dehalogenase | Authors: | Shaposhnikova, A, Prudnikova, T, Kuta Smatanova, I. | Deposit date: | 2021-04-02 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids Crystals, 11, 2021
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3QQR
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![BU of 3qqr by Molmil](/molmil-images/mine/3qqr) | Crystal structure of Parasponia hemoglobin; Differential Heme Coordination is Linked to Quaternary Structure | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Non-legume hemoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kakar, S, Sturms, R, Savage, A, Nix, J.C, Dispirito, A, Hargrove, M.S. | Deposit date: | 2011-02-16 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structures of Parasponia and Trema hemoglobins: differential heme coordination is linked to quaternary structure. Biochemistry, 50, 2011
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4RHH
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![BU of 4rhh by Molmil](/molmil-images/mine/4rhh) | Crystal structure of the catalytic mutant Xyn52B2-E335G, a GH52 Beta-D-xylosidase from Geobacillus stearothermophilus T6 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-xylosidase, CALCIUM ION | Authors: | Dann, R, Lansky, S, Lavid, N, Zehavi, A, Belakhov, V, Baasov, T, Manjasetty, B, Belrhali, H, Shoham, Y, Shoham, G. | Deposit date: | 2014-10-02 | Release date: | 2015-10-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | To be published To be Published
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7O8B
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8RFN
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![BU of 8rfn by Molmil](/molmil-images/mine/8rfn) | Human NOQ1 enzyme in its holo form by serial crystallography | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | Deposit date: | 2023-12-13 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations. Protein Sci., 33, 2024
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3QTQ
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![BU of 3qtq by Molmil](/molmil-images/mine/3qtq) | CDK2 in complex with inhibitor RC-1-137 | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3QTW
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![BU of 3qtw by Molmil](/molmil-images/mine/3qtw) | CDK2 in complex with inhibitor RC-2-13 | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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8BXT
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![BU of 8bxt by Molmil](/molmil-images/mine/8bxt) | Structure of StayGold | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, StayGold | Authors: | Ivorra-Molla, E, Akhuli, D, Crow, A. | Deposit date: | 2022-12-09 | Release date: | 2023-07-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A monomeric StayGold fluorescent protein. Nat.Biotechnol., 2023
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3KSK
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![BU of 3ksk by Molmil](/molmil-images/mine/3ksk) | Crystal Structure of single chain PvuII | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ... | Authors: | Meramveliotaki, C, Hountas, A, Eliopoulos, E, Kokkinidis, M. | Deposit date: | 2009-11-23 | Release date: | 2010-04-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure of single chain PvuII To be Published
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3KU2
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![BU of 3ku2 by Molmil](/molmil-images/mine/3ku2) | Crystal Structure of inactivated form of CDPK1 from toxoplasma gondii, TGME49.101440 | Descriptor: | Calmodulin-domain protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UNKNOWN ATOM OR ION | Authors: | Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, Mackenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-26 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium. Nat.Struct.Mol.Biol., 17, 2010
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4RI1
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5KT2
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![BU of 5kt2 by Molmil](/molmil-images/mine/5kt2) | Teranry complex of human DNA polymerase iota(26-445) inserting dCMPNPP opposite template G in the presence of Mg2+ | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), ... | Authors: | Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P. | Deposit date: | 2016-07-11 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.488 Å) | Cite: | Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota. J.Biol.Chem., 291, 2016
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3QTU
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![BU of 3qtu by Molmil](/molmil-images/mine/3qtu) | CDK2 in complex with inhibitor RC-2-132 | Descriptor: | 4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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4RIT
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![BU of 4rit by Molmil](/molmil-images/mine/4rit) | The yellow crystal structure of pyridoxal-dependent decarboxylase from sphaerobacter thermophilus dsm 20745 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-10-07 | Release date: | 2014-10-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The yellow crystal structure of pyridoxal-dependent decarboxylase from sphaerobacter thermophilus dsm 20745 To be Published
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4RJ0
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4RIZ
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![BU of 4riz by Molmil](/molmil-images/mine/4riz) | |