6WXQ
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2Z3M
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![BU of 2z3m by Molmil](/molmil-images/mine/2z3m) | complex structure of LF-transferase and dAF | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, D(-)-TARTARIC ACID, Leucyl/phenylalanyl-tRNA-protein transferase, ... | Authors: | Watanabe, K, Toh, Y, Tomita, K. | Deposit date: | 2007-06-04 | Release date: | 2007-10-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Protein-based peptide-bond formation by aminoacyl-tRNA protein transferase Nature, 449, 2007
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3Q5J
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![BU of 3q5j by Molmil](/molmil-images/mine/3q5j) | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin | Descriptor: | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, Heat shock protein 83-1 | Authors: | Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-12-28 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin. To be Published
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8OZG
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![BU of 8ozg by Molmil](/molmil-images/mine/8ozg) | cryoEM structure of SPARTA complex Tetramer Post-NAD cleavage-1 | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Babatunde, E, Dong, C.N, Xu, H.L, Henning, S. | Deposit date: | 2023-05-09 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Activation mechanism of a short argonaute-TIR prokaryotic immune system. Sci Adv, 9, 2023
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3QP1
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![BU of 3qp1 by Molmil](/molmil-images/mine/3qp1) | Crystal structure of CviR ligand-binding domain bound to the native ligand C6-HSL | Descriptor: | CviR transcriptional regulator, N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide | Authors: | Chen, G, Swem, L, Swem, D, Stauff, D, O'Loughlin, C, Jeffrey, P, Bassler, B, Hughson, F. | Deposit date: | 2011-02-11 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A strategy for antagonizing quorum sensing. Mol.Cell, 42, 2011
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7M6R
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7M6S
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5HLK
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![BU of 5hlk by Molmil](/molmil-images/mine/5hlk) | Crystal structure of the ternary EcoRV-DNA-Lu complex with cleaved DNA substrate. | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*AP*GP*AP*TP)-3'), DNA (5'-D(*AP*TP*CP*TP*TP*TP)-3'), ... | Authors: | Sangani, S.S, Kehr, A.D, Sinha, K, Rule, G.S, Jen-Jacobson, L. | Deposit date: | 2016-01-15 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex. Biochemistry, 55, 2016
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4G2Y
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![BU of 4g2y by Molmil](/molmil-images/mine/4g2y) | Crystal structure of PDE5A complexed with its inhibitor | Descriptor: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-07-13 | Release date: | 2013-06-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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4G8B
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3QRU
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![BU of 3qru by Molmil](/molmil-images/mine/3qru) | CDK2 in complex with inhibitor NSK-MC1-12 | Descriptor: | (5S)-N-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-18 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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2Z93
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![BU of 2z93 by Molmil](/molmil-images/mine/2z93) | Crystal structure of Fab fragment of anti-ciguatoxin antibody 10C9 in complex with CTX3C-ABCD | Descriptor: | 1,6:5,9:8,12:11,16-TETRAANHYDRO-2,3,4,10,13,14-HEXADEOXY-D-GLYCERO-D-ALLO-D-GULO-HEPTADECA-2,13-DIENITOL, Anti-ciguatoxin antibody 10C9 Fab heavy chain, Anti-ciguatoxin antibody 10C9 Fab light chain | Authors: | Ui, M, Tanaka, Y, Tsumoto, K. | Deposit date: | 2007-09-14 | Release date: | 2008-05-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | How Protein Recognizes Ladder-like Polycyclic Ethers: INTERACTIONS BETWEEN CIGUATOXIN (CTX3C) FRAGMENTS AND ITS SPECIFIC ANTIBODY 10C9 J.Biol.Chem., 283, 2008
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5AVY
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![BU of 5avy by Molmil](/molmil-images/mine/5avy) | Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 20 min | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. | Deposit date: | 2015-07-01 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
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8TRG
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5WKG
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![BU of 5wkg by Molmil](/molmil-images/mine/5wkg) | Crystal Structure of Human CD1b in Complex with PA | Descriptor: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shahine, A, Gras, S, Rossjohn, J. | Deposit date: | 2017-07-25 | Release date: | 2017-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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3E67
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![BU of 3e67 by Molmil](/molmil-images/mine/3e67) | Murine inos dimer with inhibitor 4-MAP bound | Descriptor: | 4-METHYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-14 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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2ZIM
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![BU of 2zim by Molmil](/molmil-images/mine/2zim) | Pyrrolysyl-tRNA synthetase bound to adenylated pyrrolysine and pyrophosphate | Descriptor: | (2R)-2-AMINO-6-({[(2S,3R)-3-METHYLPYRROLIDIN-2-YL]CARBONYL}AMINO)HEXANOYL [(2S,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL HYDROGEN (R)-PHOSPHATE, 1,2-ETHANEDIOL, PYROPHOSPHATE 2-, ... | Authors: | Steitz, T.A, Kavran, J.M. | Deposit date: | 2008-02-19 | Release date: | 2008-03-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of pyrrolysyl-tRNA synthetase, an archaeal enzyme for genetic code innovation. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2ZI5
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![BU of 2zi5 by Molmil](/molmil-images/mine/2zi5) | C4S dCK variant of dCK in complex with L-dA+UDP | Descriptor: | (2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Sabini, E, Lavie, A. | Deposit date: | 2008-02-13 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural basis for substrate promiscuity of dCK J.Mol.Biol., 378, 2008
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5AW0
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![BU of 5aw0 by Molmil](/molmil-images/mine/5aw0) | Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 55 min | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. | Deposit date: | 2015-07-01 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
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5WL1
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![BU of 5wl1 by Molmil](/molmil-images/mine/5wl1) | Crystal Structure of Human CD1b in Complex with PG | Descriptor: | (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Shahine, A, Gras, S, Rossjohn, J. | Deposit date: | 2017-07-25 | Release date: | 2017-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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4FVX
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![BU of 4fvx by Molmil](/molmil-images/mine/4fvx) | Structure of rat nNOS heme domain in complex with N(omega)-ethoxy-L-arginine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, brain, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2012-06-29 | Release date: | 2013-05-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction Biochemistry, 52, 2013
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7AAI
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![BU of 7aai by Molmil](/molmil-images/mine/7aai) | Crystal structure of Human serum albumin in complex with perfluorooctanoic acid (PFOA) at 2.10 Angstrom Resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | Authors: | Maso, L, Liberi, S, Trande, M, Angelini, A, Cendron, L. | Deposit date: | 2020-09-04 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unveiling the binding mode of perfluorooctanoic acid to human serum albumin. Protein Sci., 30, 2021
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3R2Y
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![BU of 3r2y by Molmil](/molmil-images/mine/3r2y) | MK2 kinase bound to Compound 1 | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MALONATE ION, MAP kinase-activated protein kinase 2 | Authors: | Oubrie, A, Leonard, P. | Deposit date: | 2011-03-15 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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5AW6
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![BU of 5aw6 by Molmil](/molmil-images/mine/5aw6) | Kinetics by X-ray crystallography: Rb+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 5.5 min | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. | Deposit date: | 2015-07-01 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
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8C9J
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![BU of 8c9j by Molmil](/molmil-images/mine/8c9j) | Crystal structure of human NQO1 by serial femtosecond crystallography | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Pey, A, Botha, S, Ros, A. | Deposit date: | 2023-01-23 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme. Lab Chip, 23, 2023
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