5I7V
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![BU of 5i7v by Molmil](/molmil-images/mine/5i7v) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT02 | Descriptor: | 2-phenoxy-5-propyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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1RBL
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![BU of 1rbl by Molmil](/molmil-images/mine/1rbl) | STRUCTURE DETERMINATION AND REFINEMENT OF RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM SYNECHOCOCCUS PCC6301 | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Newman, J, Gutteridge, S, Branden, C.-I, Jones, T.A. | Deposit date: | 1993-05-12 | Release date: | 1994-06-22 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure determination and refinement of ribulose 1,5-bisphosphate carboxylase/oxygenase from Synechococcus PCC6301. Acta Crystallogr.,Sect.D, 49, 1993
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5FFT
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![BU of 5fft by Molmil](/molmil-images/mine/5fft) | Crystal Structure of Surfactant Protein-A Y221A Mutant | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A | Authors: | Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X. | Deposit date: | 2015-12-18 | Release date: | 2016-07-06 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations. Biochemistry, 55, 2016
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1A61
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![BU of 1a61 by Molmil](/molmil-images/mine/1a61) | THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR | Descriptor: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | Authors: | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | Deposit date: | 1998-03-05 | Release date: | 1998-06-17 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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4FJW
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![BU of 4fjw by Molmil](/molmil-images/mine/4fjw) | |
4FLM
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![BU of 4flm by Molmil](/molmil-images/mine/4flm) | S-formylglutathione Hydrolase W197I Variant containing Copper | Descriptor: | COPPER (II) ION, S-formylglutathione hydrolase | Authors: | Legler, P.M, Millard, C.B. | Deposit date: | 2012-06-14 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A role for His-160 in peroxide inhibition of S. cerevisiae S-formylglutathione hydrolase: Evidence for an oxidation sensitive motif. Arch.Biochem.Biophys., 528, 2012
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4YPO
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4FND
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![BU of 4fnd by Molmil](/molmil-images/mine/4fnd) | Crystal structure of the Mtb enoyl CoA isomerase in complex with hydroxyhexanoyl CoA | Descriptor: | (S)-3-Hydroxyhexanoyl-CoA, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION | Authors: | Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-19 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase To be Published
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4YX1
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![BU of 4yx1 by Molmil](/molmil-images/mine/4yx1) | SpaO(SPOA2) | Descriptor: | CALCIUM ION, Surface presentation of antigens protein SpaO | Authors: | Notti, R.Q, Stebbins, C.E. | Deposit date: | 2015-03-21 | Release date: | 2015-06-03 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A common assembly module in injectisome and flagellar type III secretion sorting platforms. Nat Commun, 6, 2015
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1A46
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![BU of 1a46 by Molmil](/molmil-images/mine/1a46) | THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR | Descriptor: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | Authors: | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | Deposit date: | 1998-02-11 | Release date: | 1998-05-27 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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4EI2
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![BU of 4ei2 by Molmil](/molmil-images/mine/4ei2) | |
5I5V
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![BU of 5i5v by Molmil](/molmil-images/mine/5i5v) | X-RAY CRYSTAL STRUCTURE AT 1.94A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIENOPYRIMIDINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | Descriptor: | 1,2-ETHANEDIOL, 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, Branched-chain-amino-acid aminotransferase, ... | Authors: | Somers, D.O. | Deposit date: | 2016-02-15 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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5I8E
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![BU of 5i8e by Molmil](/molmil-images/mine/5i8e) | Crystal Structure of Broadly Neutralizing HIV-1 Fusion Peptide-Targeting Antibody VRC34.01 Fab | Descriptor: | VRC34.01 Fab heavy chain, VRC34.01 Fab light chain, ZINC ION | Authors: | Xu, K, Zhou, T, Liu, K, Kwong, P.D. | Deposit date: | 2016-02-18 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.655 Å) | Cite: | Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody. Science, 352, 2016
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5I9L
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![BU of 5i9l by Molmil](/molmil-images/mine/5i9l) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT404 | Descriptor: | 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-20 | Release date: | 2017-02-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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4ESG
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![BU of 4esg by Molmil](/molmil-images/mine/4esg) | X-ray structure of WDR5-MLL1 Win motif peptide binary complex | Descriptor: | Histone-lysine N-methyltransferase MLL, WD repeat-containing protein 5 | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | Deposit date: | 2012-04-23 | Release date: | 2012-05-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases. J.Biol.Chem., 287, 2012
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4YXC
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4XDL
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![BU of 4xdl by Molmil](/molmil-images/mine/4xdl) | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative. | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine, CADMIUM ION, ... | Authors: | Mackenzie, A, Pike, A.C.W, Dong, Y.Y, Mukhopadhyay, S, Ruda, G.F, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-19 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac. Science, 347, 2015
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4ERY
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![BU of 4ery by Molmil](/molmil-images/mine/4ery) | X-ray structure of WDR5-MLL3 Win motif peptide binary complex | Descriptor: | Histone-lysine N-methyltransferase MLL3, WD repeat-containing protein 5 | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | Deposit date: | 2012-04-21 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases. J.Biol.Chem., 287, 2012
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3K6P
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![BU of 3k6p by Molmil](/molmil-images/mine/3k6p) | Estrogen Related Receptor alpha in Complex with an Ether Based Ligand | Descriptor: | 4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile, Steroid hormone receptor ERR1 | Authors: | Abad, M.C, Patch, R.J. | Deposit date: | 2009-10-09 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Development of Diaryl Ether based ligands for Estrogen Related Receptor alpha as Potential Anti-Diabetic Agents. To be Published
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4YXA
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1UAT
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![BU of 1uat by Molmil](/molmil-images/mine/1uat) | The significance of the flexible loop in the azurin (Az-iso2) from the obligate methylotroph Methylomonas sp. strain J | Descriptor: | Azurin iso-2, COPPER (II) ION, SULFATE ION | Authors: | Inoue, T, Suzuki, S, Nisho, N, Yamaguchi, K, Kataoka, K, Tobari, J, Yong, X, Hamanaka, S, Matsumura, H, Kai, Y. | Deposit date: | 2003-03-19 | Release date: | 2004-03-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The significance of the flexible loop in the azurin (Az-iso2) from the obligate methylotroph Methylomonas sp. strain J J.Mol.Biol., 333, 2003
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5FFS
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![BU of 5ffs by Molmil](/molmil-images/mine/5ffs) | Crystal Structure of Surfactant Protein-A Y164A Mutant | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A | Authors: | Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X. | Deposit date: | 2015-12-18 | Release date: | 2016-07-06 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations. Biochemistry, 55, 2016
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1RZK
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![BU of 1rzk by Molmil](/molmil-images/mine/1rzk) | HIV-1 YU2 GP120 ENVELOPE GLYCOPROTEIN COMPLEXED WITH CD4 AND INDUCED NEUTRALIZING ANTIBODY 17B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ... | Authors: | Huang, C.C, Venturi, M, Majeed, S, Moore, M.J, Phogat, S, Zhang, M.-Y, Dimitrov, D.S, Hendrickson, W.A, Robinson, J, Sodroski, J, Wyatt, R, Choe, H, Farzan, M, Kwong, P.D. | Deposit date: | 2003-12-24 | Release date: | 2004-02-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of tyrosine sulfation and VH-gene usage in antibodies that recognize the HIV type 1 coreceptor-binding site on gp120 Proc.Natl.Acad.Sci.USA, 101, 2004
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4Z8L
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![BU of 4z8l by Molmil](/molmil-images/mine/4z8l) | Crystal structure of DCAF1/SIV-MND VPX/MND SAMHD1 NTD ternary complex | Descriptor: | Protein VPRBP, SAM domain and HD domain-containing protein, Vpx protein, ... | Authors: | Koharudin, L.M, Wu, Y, Calero, G, Ahn, J, Gronenborn, A.M. | Deposit date: | 2015-04-09 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis of Clade-specific Engagement of SAMHD1 (Sterile alpha Motif and Histidine/Aspartate-containing Protein 1) Restriction Factors by Lentiviral Viral Protein X (Vpx) Virulence Factors. J.Biol.Chem., 290, 2015
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4Z9K
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![BU of 4z9k by Molmil](/molmil-images/mine/4z9k) | Ricin A chain bound to camelid nanobody (VHH2)(F5) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ricin, ... | Authors: | Rudolph, M.J. | Deposit date: | 2015-04-10 | Release date: | 2016-07-20 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural analysis of nested neutralizing and non-neutralizing B cell epitopes on ricin toxin's enzymatic subunit. Proteins, 84, 2016
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