1NRR
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1OCU
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![BU of 1ocu by Molmil](/molmil-images/mine/1ocu) | Crystal structure of the yeast PX-domain protein Grd19p (sorting nexin 3) complexed to phosphatidylinosytol-3-phosphate. | Descriptor: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, SORTING NEXIN | Authors: | Zhou, C.Z, Li de La Sierra-Gallay, I, Cheruel, S, Collinet, B, Minard, P, Blondeau, K, Henkes, G, Aufrere, R, Leulliot, N, Graille, M, Sorel, I, Savarin, P, de la Torre, F, Poupon, A, Janin, J, van Tilbeurgh, H. | Deposit date: | 2003-02-10 | Release date: | 2003-12-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the yeast Phox homology (PX) domain protein Grd19p complexed to phosphatidylinositol-3-phosphate. J. Biol. Chem., 278, 2003
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7UFD
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![BU of 7ufd by Molmil](/molmil-images/mine/7ufd) | Human CYP3A4 bound to an inhibitor | Descriptor: | (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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6O30
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![BU of 6o30 by Molmil](/molmil-images/mine/6o30) | Lipid A transporter MsbA from Salmonella typhimurium | Descriptor: | Lipid A export ATP-binding/permease protein MsbA | Authors: | Padayatti, P.S, Zhang, Q, Wilson, I.A, Lee, S.C, Stanfield, R.L. | Deposit date: | 2019-02-25 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.47 Å) | Cite: | Structural Insights into the Lipid A Transport Pathway in MsbA. Structure, 27, 2019
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6O0R
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![BU of 6o0r by Molmil](/molmil-images/mine/6o0r) | Crystal structure of the TIR domain from human SARM1 in complex with glycerol | Descriptor: | GLYCEROL, Sterile alpha and TIR motif-containing protein 1 | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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7UFC
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![BU of 7ufc by Molmil](/molmil-images/mine/7ufc) | Human CYP3A4 bound to an inhibitor | Descriptor: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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4IIV
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![BU of 4iiv by Molmil](/molmil-images/mine/4iiv) | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Escherichia coli strain CFT073 complexed with NADP+ at 2.5 A resolution | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-20 | Release date: | 2013-01-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Escherichia coli strain CFT073 complexed with NADP+ at 2.5 A resolution To be Published
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4IP0
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![BU of 4ip0 by Molmil](/molmil-images/mine/4ip0) | X-Ray Structure of the Complex Uridine Phosphorylase from Vibrio cholerae with Phosphate Ion at 1.29 A Resolution | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ETHANOL, ... | Authors: | Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2013-01-09 | Release date: | 2014-08-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.294 Å) | Cite: | X-ray structures of uridine phosphorylase from Vibrio cholerae in complexes with uridine, thymidine, uracil, thymine, and phosphate anion: Substrate specificity of bacterial uridine phosphorylases Crystallography Reports, 61, 2016
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6O0U
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![BU of 6o0u by Molmil](/molmil-images/mine/6o0u) | Crystal structure of the TIR domain H685A mutant from human SARM1 | Descriptor: | Sterile alpha and TIR motif-containing protein 1 | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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6O0Q
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![BU of 6o0q by Molmil](/molmil-images/mine/6o0q) | Crystal structure of the TIR domain from human SARM1 in complex with ribose | Descriptor: | CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1, beta-D-ribofuranose | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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2V67
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![BU of 2v67 by Molmil](/molmil-images/mine/2v67) | Crystal structure of Chlamydomonas reinhardtii Rubisco with a large- subunit supressor mutation T342I | Descriptor: | 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Karkehabadi, S, Satagopan, S, Taylor, T.C, Spreitzer, R.J, Andersson, I. | Deposit date: | 2007-07-13 | Release date: | 2007-08-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of Altered Large-Subunit Loop-6-Carboxy-Terminus Interactions that Influence Catalytic Efficiency and Co2 O2 Specificity of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase Biochemistry, 46, 2007
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1VTX
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4IIU
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![BU of 4iiu by Molmil](/molmil-images/mine/4iiu) | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Escherichia coli strain CFT073 complexed with NADP+ at 2.1 A resolution | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-20 | Release date: | 2013-01-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Escherichia coli strain CFT073 complexed with NADP+ at 2.1 A resolution To be Published
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1VZY
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![BU of 1vzy by Molmil](/molmil-images/mine/1vzy) | Crystal structure of the Bacillus subtilis HSP33 | Descriptor: | 33 KDA CHAPERONIN, ACETATE ION, ZINC ION | Authors: | Janda, I.K, Devedjiev, Y, Derewenda, U, Dauter, Z, Bielnicki, J, Cooper, D.R, Joachimiak, A, Derewenda, Z.S, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-05-29 | Release date: | 2004-10-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The crystal structure of the reduced, Zn2+-bound form of the B. subtilis Hsp33 chaperone and its implications for the activation mechanism. Structure, 12, 2004
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3MC9
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2VHC
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![BU of 2vhc by Molmil](/molmil-images/mine/2vhc) | P4 PROTEIN FROM BACTERIOPHAGE PHI12 N234G mutant in complex with AMPCPP and MN | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MANGANESE (II) ION, NTPASE P4 | Authors: | Kainov, D.E, Mancini, E.J, Telenius, J, Lisal, J, Grimes, J.M, Bamford, D.H, Stuart, D.I, Tuma, R. | Deposit date: | 2007-11-20 | Release date: | 2007-12-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Basis of Mechanochemical Coupling in a Hexameric Molecular Motor. J.Biol.Chem., 283, 2008
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6O54
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![BU of 6o54 by Molmil](/molmil-images/mine/6o54) | Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 (D25N) | Descriptor: | CHLORIDE ION, HIV-1 protease | Authors: | Wang, Y.-F, Brothers, R, Agniswamy, J, Weber, I.T. | Deposit date: | 2019-03-01 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. Acs Omega, 4, 2019
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1OIG
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![BU of 1oig by Molmil](/molmil-images/mine/1oig) | The solution structure of the DPY module from the Dumpy protein | Descriptor: | Dumpy, isoform Y | Authors: | Wilkin, M.B, Becker, M.N, Mulvey, D, Phan, I, Chao, A, Cooper, K, Chung, H.J, Campbell, I.D, Baron, M, MacIntyre, R. | Deposit date: | 2003-06-18 | Release date: | 2003-06-26 | Last modified: | 2018-06-20 | Method: | SOLUTION NMR | Cite: | Drosophila Dumpy is a Gigantic Extracellular Protein Required to Maintain Tension at Epidermal-Cuticle Attachment Sites Curr.Biol., 10, 2000
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1OYV
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![BU of 1oyv by Molmil](/molmil-images/mine/1oyv) | Crystal structure of tomato inhibitor-II in a ternary complex with subtilisin Carlsberg | Descriptor: | CALCIUM ION, Subtilisin Carlsberg, Wound-induced proteinase inhibitor-II | Authors: | Barrette-Ng, I.H, Ng, K.K, Cherney, M.M, Pearce, G, Ryan, C.A, James, M.N. | Deposit date: | 2003-04-07 | Release date: | 2003-07-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of inhibition revealed by a 1:2 complex of the two-headed tomato inhibitor-II and subtilisin Carlsberg J.Biol.Chem., 278, 2003
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8SO1
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![BU of 8so1 by Molmil](/molmil-images/mine/8so1) | Human CYP3A4 bound to three caffeine molecules | Descriptor: | CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2023-04-28 | Release date: | 2023-08-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding. J.Biol.Chem., 299, 2023
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1W8X
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![BU of 1w8x by Molmil](/molmil-images/mine/1w8x) | Structural analysis of PRD1 | Descriptor: | MAJOR CAPSID PROTEIN (PROTEIN P3), PROTEIN P16, PROTEIN P30, ... | Authors: | Abrescia, N.G.A, Cockburn, J.J.B, Grimes, J.M, Sutton, G.C, Diprose, J.M, Butcher, S.J, Fuller, S.D, San Martin, C, Burnett, R.M, Stuart, D.I, Bamford, D.H, Bamford, J.K.H. | Deposit date: | 2004-10-01 | Release date: | 2004-11-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Insights Into Assembly from Structural Analysis of Bacteriophage Prd1. Nature, 432, 2004
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6OEI
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![BU of 6oei by Molmil](/molmil-images/mine/6oei) | Yeast Spc42 N-terminal coiled-coil fused to PDB: 3K2N | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Spindle pole body component SPC42,Sigma-54-dependent transcriptional regulator | Authors: | Drennan, A.C, Krishna, S, Seeger, M.A, Andreas, M.P, Gardner, J.M, Sether, E.K.R, Jaspersen, S.L, Rayment, I. | Deposit date: | 2019-03-27 | Release date: | 2019-04-24 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure and function of Spc42 coiled-coils in yeast centrosome assembly and duplication. Mol.Biol.Cell, 30, 2019
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7UYM
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![BU of 7uym by Molmil](/molmil-images/mine/7uym) | 850 Fab in complex with NANPNANPNANP peptide | Descriptor: | 850 Fab Heavy Chain, 850 Fab Light Chain, Circumsporozoite protein, ... | Authors: | Kucharska, I, Prieto, K, Julien, J.P. | Deposit date: | 2022-05-06 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High-density binding to Plasmodium falciparum circumsporozoite protein repeats by inhibitory antibody elicited in mouse with human immunoglobulin repertoire. Plos Pathog., 18, 2022
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6OGP
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![BU of 6ogp by Molmil](/molmil-images/mine/6ogp) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-063 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, 1,2-ETHANEDIOL, Protease | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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6OGT
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![BU of 6ogt by Molmil](/molmil-images/mine/6ogt) | X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-001 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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