6WEB
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![BU of 6web by Molmil](/molmil-images/mine/6web) | Multi-Hit SFX using MHz XFEL sources | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Holmes, S, Darmanin, C, Abbey, B. | Deposit date: | 2020-04-01 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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6WEC
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![BU of 6wec by Molmil](/molmil-images/mine/6wec) | Multi-Hit SFX using MHz XFEL sources | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Holmes, S, Darmanin, C, Abbey, B. | Deposit date: | 2020-04-01 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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1HIO
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![BU of 1hio by Molmil](/molmil-images/mine/1hio) | HISTONE OCTAMER (CHICKEN), CHROMOSOMAL PROTEIN, ALPHA CARBONS ONLY | Descriptor: | HISTONE H2A, HISTONE H2B, HISTONE H3, ... | Authors: | Arents, G, Moudrianakis, E.N. | Deposit date: | 1991-09-19 | Release date: | 1998-11-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The nucleosomal core histone octamer at 3.1 A resolution: a tripartite protein assembly and a left-handed superhelix. Proc.Natl.Acad.Sci.USA, 88, 1991
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3QT6
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![BU of 3qt6 by Molmil](/molmil-images/mine/3qt6) | Crystal structure of Staphylococcus epidermidis mevalonate diphosphate decarboxylase complexed with inhibitor DPGP | Descriptor: | 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline, Mevalonate diphosphate decarboxylase | Authors: | Barta, M.L, Skaff, A.D, McWhorter, W.J, Miziorko, H.M, Geisbrecht, B.V. | Deposit date: | 2011-02-22 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | Crystal structures of Staphylococcus epidermidis mevalonate diphosphate decarboxylase bound to inhibitory analogs reveal new insight into substrate binding and catalysis. J.Biol.Chem., 286, 2011
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1IQH
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![BU of 1iqh by Molmil](/molmil-images/mine/1iqh) | Human coagulation factor Xa in complex with M55143 | Descriptor: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa | Authors: | Shiromizu, I, Matsusue, T. | Deposit date: | 2001-07-23 | Release date: | 2003-09-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa To be Published
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1IOE
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![BU of 1ioe by Molmil](/molmil-images/mine/1ioe) | Human coagulation factor Xa in complex with M55532 | Descriptor: | (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE, CALCIUM ION, COAGULATION FACTOR XA | Authors: | Shiromizu, I, Matsusue, T. | Deposit date: | 2001-03-08 | Release date: | 2003-09-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Factor Xa Specific Inhibitor That Induces the Novel Binding Model In Complex With Human FXa To be Published
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1U1T
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![BU of 1u1t by Molmil](/molmil-images/mine/1u1t) | Hfq protein from Pseudomonas aeruginosa. High-salt crystals | Descriptor: | Hfq protein | Authors: | Nikulin, A.D, Stolboushkina, E.A, Perederina, A.A, Vassilieva, I.M, Blaesi, U, Moll, I, Kachalova, G, Yokoyama, S, Vassylyev, D, Garber, M, Nikonov, S.V, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-07-16 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Pseudomonas aeruginosa Hfq protein. Acta Crystallogr.,Sect.D, 61, 2005
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3QT7
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![BU of 3qt7 by Molmil](/molmil-images/mine/3qt7) | Crystal structure of Staphylococcus epidermidis mevalonate diphosphate decarboxylase complexed with inhibitor 6-FMVAPP | Descriptor: | (3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid, Mevalonate diphosphate decarboxylase | Authors: | Barta, M.L, Skaff, A.D, McWhorter, W.J, Miziorko, H.M, Geisbrecht, B.V. | Deposit date: | 2011-02-22 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Crystal structures of Staphylococcus epidermidis mevalonate diphosphate decarboxylase bound to inhibitory analogs reveal new insight into substrate binding and catalysis. J.Biol.Chem., 286, 2011
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3QSY
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![BU of 3qsy by Molmil](/molmil-images/mine/3qsy) | Recognition of the methionylated initiator tRNA by the translation initiation factor 2 in Archaea | Descriptor: | METHIONINE, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Translation initiation factor 2 subunit alpha, ... | Authors: | Nikonov, O.S, Stolboushkina, E.A, Zelinskaya, N.V, Nikulin, A.D, Garber, M.B, Nikonov, S.V. | Deposit date: | 2011-02-22 | Release date: | 2012-03-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the archaeal translation initiation factor 2 in complex with a GTP analogue and Met-tRNAf(Met.) J.Mol.Biol., 425, 2013
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1JAH
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![BU of 1jah by Molmil](/molmil-images/mine/1jah) | H-RAS P21 PROTEIN MUTANT G12P, COMPLEXED WITH GUANOSINE-5'-[BETA,GAMMA-METHYLENE] TRIPHOSPHATE AND MAGNESIUM | Descriptor: | C-HA-RAS, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Schweins, T, Scheffzek, K, Assheuer, R, Wittinghofer, A. | Deposit date: | 1996-12-15 | Release date: | 1997-07-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The role of the metal ion in the p21ras catalysed GTP-hydrolysis: Mn2+ versus Mg2+. J.Mol.Biol., 266, 1997
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1JAI
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![BU of 1jai by Molmil](/molmil-images/mine/1jai) | H-RAS P21 PROTEIN MUTANT G12P, COMPLEXED WITH GUANOSINE-5'-[BETA,GAMMA-METHYLENE] TRIPHOSPHATE AND MANGANESE | Descriptor: | C-HA-RAS, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Schweins, T, Scheffzek, K, Assheuer, R, Wittinghofer, A. | Deposit date: | 1996-12-15 | Release date: | 1997-07-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The role of the metal ion in the p21ras catalysed GTP-hydrolysis: Mn2+ versus Mg2+. J.Mol.Biol., 266, 1997
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3T5U
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![BU of 3t5u by Molmil](/molmil-images/mine/3t5u) | Crystal structure of the human carbonic anhydrase II in complex with N-hydroxy benzenesulfonamide | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | Authors: | Di Fiore, A, Maresca, A, Alterio, V, Supuran, C.T, De Simone, G. | Deposit date: | 2011-07-28 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II. Chem.Commun.(Camb.), 47, 2011
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3T5Z
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![BU of 3t5z by Molmil](/molmil-images/mine/3t5z) | Crystal structure of the human carbonic anhydrase II in complex with N-methoxy-benzenesulfonamide | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-methoxybenzenesulfonamide, ... | Authors: | Di Fiore, A, Maresca, A, Alterio, V, Supuran, C.T, De Simone, G. | Deposit date: | 2011-07-28 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II. Chem.Commun.(Camb.), 47, 2011
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1U1S
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![BU of 1u1s by Molmil](/molmil-images/mine/1u1s) | Hfq protein from Pseudomonas aeruginosa. Low-salt crystals | Descriptor: | Hfq protein | Authors: | Nikulin, A.D, Stolboushkina, E.A, Perederina, I, Vassilieva, I.M, Blaesi, U, Moll, I, Kachalova, G, Vassylyev, D, Yokoyama, S, Garber, M, Nikonov, S.V, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-07-16 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Pseudomonas aeruginosa Hfq protein. Acta Crystallogr.,Sect.D, 61, 2005
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3THK
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![BU of 3thk by Molmil](/molmil-images/mine/3thk) | Structure of SH3 chimera with a type II ligand linked to the chain C-terminal | Descriptor: | BETA-MERCAPTOETHANOL, Proline-rich peptide, SULFATE ION, ... | Authors: | Gabdulkhakov, A.G, Gushchina, L.V, Nikulin, A.D, Nikonov, S.V, Filimonov, V.V. | Deposit date: | 2011-08-19 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-Resolution Crystal Structure of Spectrin SH3 Domain Fused with a Proline-Rich Peptide. J.Biomol.Struct.Dyn., 29, 2011
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3QT8
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![BU of 3qt8 by Molmil](/molmil-images/mine/3qt8) | Crystal structure of mutant S192A Staphylococcus epidermidis mevalonate diphosphate decarboxylase complexed with inhibitor 6-FMVAPP | Descriptor: | (3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid, GLYCEROL, Mevalonate diphosphate decarboxylase | Authors: | Barta, M.L, Skaff, A.D, McWhorter, W.J, Miziorko, H.M, Geisbrecht, B.V. | Deposit date: | 2011-02-22 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of Staphylococcus epidermidis mevalonate diphosphate decarboxylase bound to inhibitory analogs reveal new insight into substrate binding and catalysis. J.Biol.Chem., 286, 2011
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1UW1
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![BU of 1uw1 by Molmil](/molmil-images/mine/1uw1) | |
1V3X
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![BU of 1v3x by Molmil](/molmil-images/mine/1v3x) | Factor Xa in complex with the inhibitor 1-[6-methyl-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2-carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine | Descriptor: | (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X, ... | Authors: | Suzuki, M. | Deposit date: | 2003-11-07 | Release date: | 2004-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element J.Med.Chem., 47, 2004
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1TFX
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![BU of 1tfx by Molmil](/molmil-images/mine/1tfx) | |
3SSF
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![BU of 3ssf by Molmil](/molmil-images/mine/3ssf) | Crystal structure of RNA:DNA dodecamer corresponding to HIV-1 polypurine tract, at 1.6 A resolution. | Descriptor: | 5'-D(*CP*CP*TP*TP*TP*TP*CP*TP*TP*TP*TP*A)-3', 5'-R(*UP*AP*AP*AP*AP*GP*AP*AP*AP*AP*GP*G)-3', MAGNESIUM ION | Authors: | Drozdzal, P, Michalska, K, Kierzek, R, Lomozik, L, Jaskolski, M. | Deposit date: | 2011-07-08 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of an RNA/DNA dodecamer corresponding to the HIV-1 polypurine tract at 1.6 Angstrom resolution Acta Crystallogr.,Sect.D, 68, 2012
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1IQJ
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![BU of 1iqj by Molmil](/molmil-images/mine/1iqj) | Human coagulation factor Xa in complex with M55124 | Descriptor: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa | Authors: | Shiromizu, I, Matsusue, T. | Deposit date: | 2001-07-23 | Release date: | 2003-09-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa To be Published
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1IQE
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![BU of 1iqe by Molmil](/molmil-images/mine/1iqe) | Human coagulation factor Xa in complex with M55590 | Descriptor: | 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE, CALCIUM ION, coagulation Factor Xa | Authors: | Shiromizu, I, Matsusue, T. | Deposit date: | 2001-07-23 | Release date: | 2003-09-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa To be Published
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1IQM
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![BU of 1iqm by Molmil](/molmil-images/mine/1iqm) | Human coagulation factor Xa in complex with M54471 | Descriptor: | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE, CALCIUM ION, coagulation Factor Xa | Authors: | Shiromizu, I, Matsusue, T. | Deposit date: | 2001-07-23 | Release date: | 2003-09-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa To be Published
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1IQK
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![BU of 1iqk by Molmil](/molmil-images/mine/1iqk) | Human coagulation factor Xa in complex with M55113 | Descriptor: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa | Authors: | Shiromizu, I, Matsusue, T. | Deposit date: | 2001-07-23 | Release date: | 2003-09-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa To be Published
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1IQF
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![BU of 1iqf by Molmil](/molmil-images/mine/1iqf) | Human coagulation factor Xa in complex with M55165 | Descriptor: | (2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa | Authors: | Shiromizu, I, Matsusue, T. | Deposit date: | 2001-07-23 | Release date: | 2003-09-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa To be Published
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