1WB9
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![BU of 1wb9 by Molmil](/molmil-images/mine/1wb9) | Crystal Structure of E. coli DNA Mismatch Repair enzyme MutS, E38T mutant, in complex with a G.T mismatch | Descriptor: | 5'-D(*AP*CP*TP*GP*GP*TP*GP*CP*TP*TP *GP*GP*CP*AP*GP*CP*T)-3', 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP *CP*AP*CP*CP*AP*GP*TP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Natrajan, G, Georgijevic, D, Lebbink, J.H.G, Winterwerp, H.H.K, de Wind, N, Sixma, T.K. | Deposit date: | 2004-10-31 | Release date: | 2006-01-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dual Role of Muts Glutamate 38 in DNA Mismatch Discrimination and in the Authorization of Repair. Embo J., 25, 2006
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4OOX
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3HES
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![BU of 3hes by Molmil](/molmil-images/mine/3hes) | Human prion protein variant F198S with M129 | Descriptor: | CADMIUM ION, Major prion protein | Authors: | Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C. | Deposit date: | 2009-05-10 | Release date: | 2010-01-12 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation. Embo J., 29, 2010
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1W16
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![BU of 1w16 by Molmil](/molmil-images/mine/1w16) | rat synaptotagmin 4 C2B domain in the absence of calcium | Descriptor: | CHLORIDE ION, SODIUM ION, SYNAPTOTAGMIN IV | Authors: | Dai, H, Shin, O.-H, Machius, M, Tomchick, D.R, Sudhof, T.C, Rizo, J. | Deposit date: | 2004-06-16 | Release date: | 2004-08-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for the Evolutionary Inactivation of Ca2+ Binding to Synaptotagmin 4 Nat.Struct.Mol.Biol., 11, 2004
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3HG7
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![BU of 3hg7 by Molmil](/molmil-images/mine/3hg7) | CRYSTAL STRUCTURE OF D-isomer specific 2-hydroxyacid dehydrogenase family protein from Aeromonas salmonicida subsp. salmonicida A449 | Descriptor: | D-isomer specific 2-hydroxyacid dehydrogenase family protein, GLYCEROL | Authors: | Malashkevich, V.N, Toro, R, Morano, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-05-13 | Release date: | 2009-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CRYSTAL STRUCTURE OF D-isomer specific 2-hydroxyacid dehydrogenase family protein from Aeromonas salmonicida subsp. salmonicida A449 To be Published
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1W7F
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3HGJ
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![BU of 3hgj by Molmil](/molmil-images/mine/3hgj) | Old Yellow Enzyme from Thermus scotoductus SA-01 complexed with p-hydroxy-benzaldehyde | Descriptor: | Chromate reductase, FLAVIN MONONUCLEOTIDE, P-HYDROXYBENZALDEHYDE | Authors: | Opperman, D.J, Sewell, B.T, Litthauer, D, Isupov, M.N, Littlechild, J.A, van Heerden, E. | Deposit date: | 2009-05-14 | Release date: | 2010-02-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a thermostable old yellow enzyme from Thermus scotoductus SA-01 Biochem.Biophys.Res.Commun., 393, 2010
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5W2Y
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![BU of 5w2y by Molmil](/molmil-images/mine/5w2y) | INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 9-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID | Descriptor: | (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid, (2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G. | Deposit date: | 2017-06-07 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives. J. Med. Chem., 61, 2018
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4O6Q
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![BU of 4o6q by Molmil](/molmil-images/mine/4o6q) | 0.95A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (Y75A mutant) | Descriptor: | FORMIC ACID, HasAp, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M. | Deposit date: | 2013-12-23 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa. Biochemistry, 53, 2014
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3HFE
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![BU of 3hfe by Molmil](/molmil-images/mine/3hfe) | A trimeric form of the Kv7.1 A domain Tail | Descriptor: | Potassium voltage-gated channel subfamily KQT member 1 | Authors: | Xu, Q, Minor, D.L. | Deposit date: | 2009-05-11 | Release date: | 2009-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a trimeric form of the K(V)7.1 (KCNQ1) A-domain tail coiled-coil reveals structural plasticity and context dependent changes in a putative coiled-coil trimerization motif. Protein Sci., 18, 2009
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1VYJ
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![BU of 1vyj by Molmil](/molmil-images/mine/1vyj) | Structural and biochemical studies of human PCNA complexes provide the basis for association with CDK/cyclin and rationale for inhibitor design | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN, SMALL PEPTIDE SAVLQKKITDYFHPKK | Authors: | Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M.D. | Deposit date: | 2004-04-30 | Release date: | 2005-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design Proc.Natl.Acad.Sci.USA, 102, 2005
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3HHT
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![BU of 3hht by Molmil](/molmil-images/mine/3hht) | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability | Descriptor: | CHLORIDE ION, COBALT (III) ION, Nitrile hydratase alpha subunit, ... | Authors: | Van Wyk, J.C, Sewell, B.T, Cowan, D.A, Sayed, M.F, Tsekoa, T.L, Tastan Bishop, A.O. | Deposit date: | 2009-05-17 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | The high-resolution structure of a Cobalt containing nitrile hydratase To be published
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1W30
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![BU of 1w30 by Molmil](/molmil-images/mine/1w30) | PyrR of Mycobacterium Tuberculosis as a potential drug target | Descriptor: | PYRR BIFUNCTIONAL PROTEIN | Authors: | Kantardjieff, K.A, Vasquez, C, Castro, P, Warfel, N.N, Rho, B.-S, Lekin, T, Kim, C.-Y, Segelke, B.W, Terwilliger, T, Rupp, B, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-07-11 | Release date: | 2004-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Pyrr (Rv1379) from Mycobacterium Tuberculosis: A Persistence Gene and Protein Drug Target Acta Crystallogr.,Sect.D, 61, 2005
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3HFT
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1W3J
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![BU of 1w3j by Molmil](/molmil-images/mine/1w3j) | Family 1 b-glucosidase from Thermotoga maritima in complex with tetrahydrooxazine | Descriptor: | BETA-GLUCOSIDASE, TETRAHYDROOXAZINE | Authors: | Gloster, T.M, Macdonald, J.M, Tarling, C.A, Stick, R.V, Withers, S.W, Davies, G.J. | Deposit date: | 2004-07-16 | Release date: | 2004-09-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Thermodynamic, and Kinetic Analyses of Tetrahydrooxazine-Derived Inhibitors Bound to {Beta}-Glucosidases J.Biol.Chem., 279, 2004
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3HGO
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4O9A
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![BU of 4o9a by Molmil](/molmil-images/mine/4o9a) | Crystal structure of Beta-ketothiolase (PhaA) from Ralstonia eutropha H16 | Descriptor: | Acetyl-CoA acetyltransferase | Authors: | Kim, E.J, Kim, J, Kim, S, Kim, K.J. | Deposit date: | 2014-01-02 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal structure and biochemical characterization of PhaA from Ralstonia eutropha, a polyhydroxyalkanoate-producing bacterium. Biochem.Biophys.Res.Commun., 452, 2014
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3HJ7
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![BU of 3hj7 by Molmil](/molmil-images/mine/3hj7) | Crystal structure of TILS C-terminal domain | Descriptor: | CHLORIDE ION, tRNA(Ile)-lysidine synthase | Authors: | Nakanishi, K, Bonnefond, L, Kimura, S, Suzuki, T, Ishitani, R, Nureki, O. | Deposit date: | 2009-05-21 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for translational fidelity ensured by transfer RNA lysidine synthetase. Nature, 461, 2009
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1VZO
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![BU of 1vzo by Molmil](/molmil-images/mine/1vzo) | The structure of the N-terminal kinase domain of MSK1 reveals a novel autoinhibitory conformation for a dual kinase protein | Descriptor: | BETA-MERCAPTOETHANOL, RIBOSOMAL PROTEIN S6 KINASE ALPHA 5, SULFATE ION | Authors: | Smith, K.J, Carter, P.S, Bridges, A, Horrocks, P, Lewis, C, Pettman, G, Clarke, A, Brown, M, Hughes, J, Wilkinson, M, Bax, B, Reith, A. | Deposit date: | 2004-05-21 | Release date: | 2004-06-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure of Msk1 Reveals a Novel Autoinhibitory Conformation for a Dual Kinase Protein Structure, 12, 2004
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4OAG
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1VYV
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![BU of 1vyv by Molmil](/molmil-images/mine/1vyv) | beta4 subunit of Ca2+ channel | Descriptor: | CALCIUM CHANNEL BETA-4SUBUNIT | Authors: | Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Liang, T, Yang, J. | Deposit date: | 2004-05-07 | Release date: | 2004-06-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels Nature, 429, 2004
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3HIT
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![BU of 3hit by Molmil](/molmil-images/mine/3hit) | Crystal structure of Saporin-L1 in complex with the dinucleotide inhibitor, a transition state analogue | Descriptor: | 5'-O-[(S)-{[(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(S)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-O-[(R)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-O-methylguanosine, Vacuolar saporin | Authors: | Ho, M, Sturm, M.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2009-05-20 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins. Proc.Natl.Acad.Sci.USA, 106, 2009
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1W3H
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![BU of 1w3h by Molmil](/molmil-images/mine/1w3h) | The 3-dimensional structure of a thermostable mutant of a xylanase (Xyn10A) from Cellvibrio japonicus | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDO-1,4-BETA-XYLANASE A PRECURSOR | Authors: | Andrews, S, Taylor, E.J, Pell, G.N, Vincent, F, Ducros, V.M.A, Davies, G.J, Lakey, J.H, Glbert, H.J. | Deposit date: | 2004-07-15 | Release date: | 2004-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Use of Forced Protein Evolution to Investigate and Improve Stability of Family 10 Xylanases: The Production of Ca2+-Independent Stable Xylanases J.Biol.Chem., 279, 2004
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4OV9
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![BU of 4ov9 by Molmil](/molmil-images/mine/4ov9) | Structure of isopropylmalate synthase binding with alpha-isopropylmalate | Descriptor: | (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid, ZINC ION, isopropylmalate synthase | Authors: | Zhang, Z, Wu, J, Wang, C, Zhang, P. | Deposit date: | 2014-02-20 | Release date: | 2014-08-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition. J.Biol.Chem., 289, 2014
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4OBO
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![BU of 4obo by Molmil](/molmil-images/mine/4obo) | MAP4K4 in complex with inhibitor (compound 22), 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(3-chlorophenyl)quinazolin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-01-07 | Release date: | 2014-04-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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