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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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