5VEH
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![BU of 5veh by Molmil](/molmil-images/mine/5veh) | Re-refinement OF THE PDB STRUCTURE 1yiz of Aedes aegypti kynurenine aminotransferase | Descriptor: | BROMIDE ION, GLYCEROL, Kynurenine aminotransferase | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | Deposit date: | 2017-04-04 | Release date: | 2017-11-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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5VGA
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![BU of 5vga by Molmil](/molmil-images/mine/5vga) | Alternative model for Fab 36-65 | Descriptor: | Fab 36-65 heavy chain, Fab 36-65 light chain, TRIETHYLENE GLYCOL | Authors: | Stanfield, R.L, Rupp, B, Wlodawer, A, Dauter, Z, Porebski, P.J, Minor, W, Jaskolski, M, Pozharski, E, Weichenberger, C.X. | Deposit date: | 2017-04-10 | Release date: | 2017-12-06 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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5VET
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![BU of 5vet by Molmil](/molmil-images/mine/5vet) | PHOSPHOLIPASE A2, RE-REFINEMENT OF THE PDB STRUCTURE 1JQ8 WITHOUT THE PUTATIVE COMPLEXED OLIGOPEPTIDE | Descriptor: | Phospholipase A2 VRV-PL-VIIIa | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | Deposit date: | 2017-04-05 | Release date: | 2018-06-20 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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3U67
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![BU of 3u67 by Molmil](/molmil-images/mine/3u67) | Crystal structure of the N-terminal domain of Hsp90 from Leishmania major(LmjF33.0312)in complex with ADP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 83-1, ... | Authors: | Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Mackenzie, F, Fairlamb, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2011-10-12 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design. PLoS Negl Trop Dis, 7, 2013
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5VER
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![BU of 5ver by Molmil](/molmil-images/mine/5ver) | MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2Z | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | Deposit date: | 2017-04-05 | Release date: | 2017-11-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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5VEP
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![BU of 5vep by Molmil](/molmil-images/mine/5vep) | MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2F | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | Deposit date: | 2017-04-05 | Release date: | 2017-11-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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5VF5
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![BU of 5vf5 by Molmil](/molmil-images/mine/5vf5) | Crystal structure of the vicilin from Solanum melongena, re-refinement | Descriptor: | ACETATE ION, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Porebski, P.J, Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | Deposit date: | 2017-04-06 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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5V5P
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![BU of 5v5p by Molmil](/molmil-images/mine/5v5p) | |
5OKL
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![BU of 5okl by Molmil](/molmil-images/mine/5okl) | Human afamin monoclinic crystal form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Afamin, ... | Authors: | Rupp, B, Naschberger, A, Bowler, M.W. | Deposit date: | 2017-07-25 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural Evidence for a Role of the Multi-functional Human Glycoprotein Afamin in Wnt Transport. Structure, 25, 2017
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5TPG
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![BU of 5tpg by Molmil](/molmil-images/mine/5tpg) | Optimization of spirocyclic proline tryptophanhydroxylase-1 inhibitors | Descriptor: | (3S)-8-(2-amino-6-{(1R)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETONITRILE, ... | Authors: | Stein, A.J, Goldberg, D.R, De Lombaert, S, Holt, M.C. | Deposit date: | 2016-10-20 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5VBC
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![BU of 5vbc by Molmil](/molmil-images/mine/5vbc) | Crystal structure of ATXR5 in complex with histone H3.1 | Descriptor: | DIMETHYL SULFOXIDE, Histone H3.1 peptide, Probable Histone-lysine N-methyltransferase ATXR5, ... | Authors: | Couture, J.-F, Bergamin, E. | Deposit date: | 2017-03-29 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for the methylation specificity of ATXR5 for histone H3. Nucleic Acids Res., 45, 2017
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3R8B
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![BU of 3r8b by Molmil](/molmil-images/mine/3r8b) | |
5ONE
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![BU of 5one by Molmil](/molmil-images/mine/5one) | Crystal structure of Aurora-A in complex with FMF-03-145-1 (compound 2) | Descriptor: | 4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide, Aurora kinase A | Authors: | Chaikuad, A, Ferguson, F.M, Gray, N.S, Knapp, S. | Deposit date: | 2017-08-03 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Characterization of a highly selective inhibitor of the Aurora kinases. Bioorg. Med. Chem. Lett., 27, 2017
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3UC1
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![BU of 3uc1 by Molmil](/molmil-images/mine/3uc1) | Mycobacterium tuberculosis gyrase type IIA topoisomerase C-terminal domain | Descriptor: | ACETATE ION, CALCIUM ION, DNA gyrase subunit A, ... | Authors: | Tretter, E.M, Berger, J.M. | Deposit date: | 2011-10-25 | Release date: | 2012-03-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Mechanisms for Defining Supercoiling Set Point of DNA Gyrase Orthologs: II. THE SHAPE OF THE GyrA SUBUNIT C-TERMINAL DOMAIN (CTD) IS NOT A SOLE DETERMINANT FOR CONTROLLING SUPERCOILING EFFICIENCY. J.Biol.Chem., 287, 2012
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3UTZ
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![BU of 3utz by Molmil](/molmil-images/mine/3utz) | Endogenous-like inhibitory antibodies targeting activated metalloproteinase motifs show therapeutic potential | Descriptor: | Metalloproteinase, heavy chain, light chain, ... | Authors: | Sela-Passwell, N, Kikkeri, R, Dym, O, Rozenberg, H, Margalit, R, Arad-Yellin, R, Eisenstein, M, Brenner, O, Shoham, T, Danon, T, Shanzer, A, Sagi, I, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-11-27 | Release date: | 2011-12-14 | Last modified: | 2017-03-15 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Antibodies targeting the catalytic zinc complex of activated matrix metalloproteinases show therapeutic potential. NAT.MED. (N.Y.), 18, 2012
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3UCL
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![BU of 3ucl by Molmil](/molmil-images/mine/3ucl) | |
3QU7
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![BU of 3qu7 by Molmil](/molmil-images/mine/3qu7) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13asn mutant complexed with calcium and phosphate | Descriptor: | ACETATE ION, CALCIUM ION, INORGANIC PYROPHOSPHATASE, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QU5
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![BU of 3qu5 by Molmil](/molmil-images/mine/3qu5) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp11asn mutant | Descriptor: | CHLORIDE ION, INORGANIC PYROPHOSPHATASE | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QU2
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![BU of 3qu2 by Molmil](/molmil-images/mine/3qu2) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, a closed cap conformation | Descriptor: | CHLORIDE ION, CITRIC ACID, GLYCEROL, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QUT
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![BU of 3qut by Molmil](/molmil-images/mine/3qut) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13asn mutant, an open cap conformation | Descriptor: | CHLORIDE ION, D-MALATE, INORGANIC PYROPHOSPHATASE, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-24 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QUC
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![BU of 3quc by Molmil](/molmil-images/mine/3quc) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47asn mutant complexed with sulfate | Descriptor: | INORGANIC PYROPHOSPHATASE, SULFATE ION | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3QYP
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![BU of 3qyp by Molmil](/molmil-images/mine/3qyp) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47asn mutant complexed with calcium and phosphate | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-03-03 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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3STY
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![BU of 3sty by Molmil](/molmil-images/mine/3sty) | |
3U3K
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![BU of 3u3k by Molmil](/molmil-images/mine/3u3k) | Crystal structure of hSULT1A1 bound to PAP and 2-Naphtol | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1A1, naphthalen-2-ol | Authors: | Guttman, C, Berger, I, Aharoni, A, Zarivach, R. | Deposit date: | 2011-10-06 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | The molecular basis for the broad substrate specificity of human sulfotransferase 1A1. Plos One, 6, 2011
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3STU
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![BU of 3stu by Molmil](/molmil-images/mine/3stu) | |