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6WEB
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BU of 6web by Molmil
Multi-Hit SFX using MHz XFEL sources
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Holmes, S, Darmanin, C, Abbey, B.
登録日2020-04-01
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6WEC
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BU of 6wec by Molmil
Multi-Hit SFX using MHz XFEL sources
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Holmes, S, Darmanin, C, Abbey, B.
登録日2020-04-01
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
1HIO
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BU of 1hio by Molmil
HISTONE OCTAMER (CHICKEN), CHROMOSOMAL PROTEIN, ALPHA CARBONS ONLY
分子名称: HISTONE H2A, HISTONE H2B, HISTONE H3, ...
著者Arents, G, Moudrianakis, E.N.
登録日1991-09-19
公開日1998-11-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
3QT6
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BU of 3qt6 by Molmil
Crystal structure of Staphylococcus epidermidis mevalonate diphosphate decarboxylase complexed with inhibitor DPGP
分子名称: 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline, Mevalonate diphosphate decarboxylase
著者Barta, M.L, Skaff, A.D, McWhorter, W.J, Miziorko, H.M, Geisbrecht, B.V.
登録日2011-02-22
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献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
1IQH
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BU of 1iqh by Molmil
Human coagulation factor Xa in complex with M55143
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IOE
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BU of 1ioe by Molmil
Human coagulation factor Xa in complex with M55532
分子名称: (-)-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
著者Shiromizu, I, Matsusue, T.
登録日2001-03-08
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Factor Xa Specific Inhibitor That Induces the Novel Binding Model In Complex With Human FXa
To be Published
1U1T
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BU of 1u1t by Molmil
Hfq protein from Pseudomonas aeruginosa. High-salt crystals
分子名称: Hfq protein
著者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)
登録日2004-07-16
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of Pseudomonas aeruginosa Hfq protein.
Acta Crystallogr.,Sect.D, 61, 2005
3QT7
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BU of 3qt7 by Molmil
Crystal structure of Staphylococcus epidermidis mevalonate diphosphate decarboxylase complexed with inhibitor 6-FMVAPP
分子名称: (3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid, Mevalonate diphosphate decarboxylase
著者Barta, M.L, Skaff, A.D, McWhorter, W.J, Miziorko, H.M, Geisbrecht, B.V.
登録日2011-02-22
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献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
3QSY
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BU of 3qsy by Molmil
Recognition of the methionylated initiator tRNA by the translation initiation factor 2 in Archaea
分子名称: METHIONINE, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Translation initiation factor 2 subunit alpha, ...
著者Nikonov, O.S, Stolboushkina, E.A, Zelinskaya, N.V, Nikulin, A.D, Garber, M.B, Nikonov, S.V.
登録日2011-02-22
公開日2012-03-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of the archaeal translation initiation factor 2 in complex with a GTP analogue and Met-tRNAf(Met.)
J.Mol.Biol., 425, 2013
1JAH
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BU of 1jah by Molmil
H-RAS P21 PROTEIN MUTANT G12P, COMPLEXED WITH GUANOSINE-5'-[BETA,GAMMA-METHYLENE] TRIPHOSPHATE AND MAGNESIUM
分子名称: C-HA-RAS, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Schweins, T, Scheffzek, K, Assheuer, R, Wittinghofer, A.
登録日1996-12-15
公開日1997-07-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The role of the metal ion in the p21ras catalysed GTP-hydrolysis: Mn2+ versus Mg2+.
J.Mol.Biol., 266, 1997
1JAI
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BU of 1jai by Molmil
H-RAS P21 PROTEIN MUTANT G12P, COMPLEXED WITH GUANOSINE-5'-[BETA,GAMMA-METHYLENE] TRIPHOSPHATE AND MANGANESE
分子名称: C-HA-RAS, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Schweins, T, Scheffzek, K, Assheuer, R, Wittinghofer, A.
登録日1996-12-15
公開日1997-07-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The role of the metal ion in the p21ras catalysed GTP-hydrolysis: Mn2+ versus Mg2+.
J.Mol.Biol., 266, 1997
3T5U
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BU of 3t5u by Molmil
Crystal structure of the human carbonic anhydrase II in complex with N-hydroxy benzenesulfonamide
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Di Fiore, A, Maresca, A, Alterio, V, Supuran, C.T, De Simone, G.
登録日2011-07-28
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II.
Chem.Commun.(Camb.), 47, 2011
3T5Z
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BU of 3t5z by Molmil
Crystal structure of the human carbonic anhydrase II in complex with N-methoxy-benzenesulfonamide
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-methoxybenzenesulfonamide, ...
著者Di Fiore, A, Maresca, A, Alterio, V, Supuran, C.T, De Simone, G.
登録日2011-07-28
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II.
Chem.Commun.(Camb.), 47, 2011
1U1S
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BU of 1u1s by Molmil
Hfq protein from Pseudomonas aeruginosa. Low-salt crystals
分子名称: Hfq protein
著者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)
登録日2004-07-16
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Pseudomonas aeruginosa Hfq protein.
Acta Crystallogr.,Sect.D, 61, 2005
3THK
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BU of 3thk by Molmil
Structure of SH3 chimera with a type II ligand linked to the chain C-terminal
分子名称: BETA-MERCAPTOETHANOL, Proline-rich peptide, SULFATE ION, ...
著者Gabdulkhakov, A.G, Gushchina, L.V, Nikulin, A.D, Nikonov, S.V, Filimonov, V.V.
登録日2011-08-19
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High-Resolution Crystal Structure of Spectrin SH3 Domain Fused with a Proline-Rich Peptide.
J.Biomol.Struct.Dyn., 29, 2011
3QT8
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BU of 3qt8 by Molmil
Crystal structure of mutant S192A Staphylococcus epidermidis mevalonate diphosphate decarboxylase complexed with inhibitor 6-FMVAPP
分子名称: (3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid, GLYCEROL, Mevalonate diphosphate decarboxylase
著者Barta, M.L, Skaff, A.D, McWhorter, W.J, Miziorko, H.M, Geisbrecht, B.V.
登録日2011-02-22
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
1UW1
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BU of 1uw1 by Molmil
A Novel ADP- and Zinc-binding fold from function-directed in vitro evolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, ARTIFICIAL NUCLEOTIDE BINDING PROTEIN (ANBP), ZINC ION
著者Lo Surdo, P, Walsh, M.A, Sollazzo, M.
登録日2004-01-28
公開日2004-03-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献A Novel Adp- and Zinc-Binding Fold from Function-Directed in Vitro Evolution
Nat.Struct.Mol.Biol., 11, 2004
1V3X
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BU of 1v3x by Molmil
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
分子名称: (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, ...
著者Suzuki, M.
登録日2003-11-07
公開日2004-11-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
1TFX
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BU of 1tfx by Molmil
COMPLEX OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR WITH PORCINE TRYPSIN
分子名称: CALCIUM ION, TISSUE FACTOR PATHWAY INHIBITOR, TRYPSIN
著者Stubbs, M.T, Huber, R.
登録日1997-01-21
公開日1998-01-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The second Kunitz domain of human tissue factor pathway inhibitor: cloning, structure determination and interaction with factor Xa.
J.Mol.Biol., 269, 1997
3SSF
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BU of 3ssf by Molmil
Crystal structure of RNA:DNA dodecamer corresponding to HIV-1 polypurine tract, at 1.6 A resolution.
分子名称: 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
著者Drozdzal, P, Michalska, K, Kierzek, R, Lomozik, L, Jaskolski, M.
登録日2011-07-08
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of an RNA/DNA dodecamer corresponding to the HIV-1 polypurine tract at 1.6 Angstrom resolution
Acta Crystallogr.,Sect.D, 68, 2012
1IQJ
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BU of 1iqj by Molmil
Human coagulation factor Xa in complex with M55124
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQE
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Human coagulation factor Xa in complex with M55590
分子名称: 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
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQM
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Human coagulation factor Xa in complex with M54471
分子名称: 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQK
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BU of 1iqk by Molmil
Human coagulation factor Xa in complex with M55113
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQF
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Human coagulation factor Xa in complex with M55165
分子名称: (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
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published

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