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1O0A
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BU of 1o0a by Molmil
BACTERIORHODOPSIN L INTERMEDIATE AT 1.62 A RESOLUTION
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ...
著者Lanyi, J.K.
登録日2003-02-20
公開日2003-04-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Mechanism of proton transport in bacteriorhodopsin from crystallographic structures of the K, L, M1, M2, and M2' intermediates of the photocycle.
J.Mol.Biol., 328, 2003
4MES
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BU of 4mes by Molmil
Crystal structure of ThiT complexed with LMG116
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol, DI(HYDROXYETHYL)ETHER, ...
著者Swier, L.J.Y.M, Guskov, A, Slotboom, D.J.
登録日2013-08-27
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of ThiT with small molecule modulators
To be Published
1WOP
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BU of 1wop by Molmil
Crystal Structure of T-protein of the Glycine Cleavage System
分子名称: Aminomethyltransferase, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
著者Lee, H.H, Kim, D.J, Ahn, H.J, Ha, J.Y, Suh, S.W.
登録日2004-08-24
公開日2004-09-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of T-protein of the Glycine Cleavage System: Cofactor binding, insights into H-protein recognition, and molecular basis for understanding nonketotic hyperglycinemia
J.Biol.Chem., 279, 2004
4PA5
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BU of 4pa5 by Molmil
Tgl - a bacterial spore coat transglutaminase - cystamine complex
分子名称: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, CITRATE ANION, ...
著者Brito, J.A, Placido, D, Fernandes, C.G, Lousa, D, Isidro, A, Soares, C.M, Pohl, J, Carrondo, M.A, Henriques, A.O, Archer, M.
登録日2014-04-07
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and Functional Characterization of an Ancient Bacterial Transglutaminase Sheds Light on the Minimal Requirements for Protein Cross-Linking.
Biochemistry, 54, 2015
4D64
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BU of 4d64 by Molmil
Structure of porin Omp-Pst1 from P. stuartii; the crystallographic symmetry generates a dimer of trimers.
分子名称: CALCIUM ION, PORIN 1
著者Nasrallah, C, Colletier, J.P.
登録日2014-11-08
公開日2016-03-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Porin self-association enables cell-to-cell contact inProvidencia stuartiifloating communities.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3PSY
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BU of 3psy by Molmil
Endothiapepsin in complex with an inhibitor based on the Gewald reaction
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
著者Koester, H, Heine, A, Klebe, G.
登録日2010-12-02
公開日2011-12-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
4LY1
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BU of 4ly1 by Molmil
Structure of Human HDAC2 in complex with inhibitor 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide, CALCIUM ION, ...
著者Fong, R, Lupardus, P.J.
登録日2013-07-30
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
5U5Q
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BU of 5u5q by Molmil
12 Subunit RNA Polymerase II at Room Temperature collected using SFX
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Bushnell, D.A, Oberthur, D, Mariani, V, Yefanov, O, Tolstikova, A, Barty, A.
登録日2016-12-07
公開日2017-03-29
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Double-flow focused liquid injector for efficient serial femtosecond crystallography.
Sci Rep, 7, 2017
4M5Y
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BU of 4m5y by Molmil
Crystal structure of broadly neutralizing Fab 5J8
分子名称: DI(HYDROXYETHYL)ETHER, Fab 5J8 heavy chain, Fab 5J8 light chain, ...
著者Lee, P.S, Wilson, I.A.
登録日2013-08-08
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site.
J.Virol., 87, 2013
4PY0
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BU of 4py0 by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSATP
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ...
著者Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
登録日2014-03-25
公開日2014-04-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
2HJH
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BU of 2hjh by Molmil
Crystal Structure of the Sir2 deacetylase
分子名称: (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, NAD-dependent histone deacetylase SIR2, NICOTINAMIDE, ...
著者Hall, B.E, Ellenberger, T.E.
登録日2006-06-30
公開日2008-04-08
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Autoregulation of the yeast Sir2 deacetylase by reaction and trapping of a pseudosubstrate motif in the active site
To be Published
5TWM
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BU of 5twm by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ...
著者Sheriff, S.
登録日2016-11-14
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
2DRD
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BU of 2drd by Molmil
Crystal structure of a multidrug transporter reveal a functionally rotating mechanism
分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ACRB
著者Murakami, S, Nakashima, R, Yamashita, E, Matsumoto, T.
登録日2006-06-08
公開日2006-08-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structures of a multidrug transporter reveal a functionally rotating mechanism
Nature, 443, 2006
1P8H
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BU of 1p8h by Molmil
BACTERIORHODOPSIN M1 INTERMEDIATE PRODUCED AT ROOM TEMPERATURE
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ...
著者Lanyi, J.K.
登録日2003-05-07
公開日2003-07-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystallographic Structures of the M and N Intermediates of Bacteriorhodopsin: Assembly of a Hydrogen-Bonded Chain of Water Molecules between Asp-96 and the Retinal Schiff Base
J.Mol.Biol., 330, 2003
4BRY
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BU of 4bry by Molmil
The Idas:Geminin heterodimeric parallel coiled-coil
分子名称: GEMININ, MULTICILIN, PHOSPHATE ION, ...
著者Caillat, C, Perrakis, A.
登録日2013-06-06
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The Geminin and Idas Coiled Coils Preferentially Form a Heterodimer that Inhibits Geminin Function in DNA Replication Licensing
J.Biol.Chem., 288, 2013
4Q7Q
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BU of 4q7q by Molmil
The crystal structure of a possible lipase from Chitinophaga pinensis DSM 2588
分子名称: CHLORIDE ION, FORMIC ACID, Lipolytic protein G-D-S-L family, ...
著者Tan, K, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-04-25
公開日2014-05-14
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献The crystal structure of a possible lipase from Chitinophaga pinensis DSM 2588
To be Published
4C0X
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BU of 4c0x by Molmil
The crystal strucuture of PpAzoR in complex with anthraquinone-2- sulfonate
分子名称: 9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, FLAVIN MONONUCLEOTIDE, FMN-DEPENDENT NADH-AZOREDUCTASE 1, ...
著者Goncalves, A.M.D, de Sanctis, D, Bento, I.
登録日2013-08-08
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献The Crystal Structure of Pseudomonas Putida Azor: The Active Site Revisited.
FEBS J., 280, 2013
4QJ4
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BU of 4qj4 by Molmil
Structure of a fragment of human phospholipase C-beta3 delta472-569, bound to IP3 and in complex with Galphaq
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ...
著者Lyon, A.M, Tesmer, J.J.G.
登録日2014-06-03
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Molecular mechanisms of phospholipase C beta 3 autoinhibition.
Structure, 22, 2014
5QRA
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BU of 5qra by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1101755952
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献PanDDA analysis group deposition
To Be Published
4E1K
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BU of 4e1k by Molmil
GlmU in complex with a Quinazoline Compound
分子名称: Bifunctional protein GlmU, N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, SULFATE ION, ...
著者Larsen, N.A, Doig, P.
登録日2012-03-06
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An aminoquinazoline inhibitor of the essential bacterial cell wall synthetic enzyme GlmU has a unique non-protein-kinase-like binding mode.
Biochem.J., 446, 2012
4LXZ
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BU of 4lxz by Molmil
Structure of Human HDAC2 in complex with SAHA (vorinostat)
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ...
著者Fong, R, Lupardus, P.J.
登録日2013-07-30
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
4M0M
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BU of 4m0m by Molmil
The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
分子名称: PHOSPHATE ION, Putative uncharacterized protein, TETRAETHYLENE GLYCOL
著者Tan, K, Li, H, Clancy, S, Shuman, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-08-01
公開日2013-08-21
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
To be Published
2DDY
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BU of 2ddy by Molmil
Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor
分子名称: (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE, CALCIUM ION, Matrilysin, ...
著者Zheng, X.H, Ou, L.
登録日2006-02-06
公開日2007-02-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor
to be published
3SLH
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BU of 3slh by Molmil
1.70 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 1,2-ETHANEDIOL, 3-phosphoshikimate 1-carboxyvinyltransferase, ...
著者Light, S.H, Minasov, G, Filippova, E.V, Krishna, S.N, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-06-24
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1.70 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase(AroA) from Coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
To be Published
4M7Z
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BU of 4m7z by Molmil
Unliganded 1 crystal structure of S25-26 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Haji-Ghassemi, O, Evans, S.V, Muller-Loennies, S, Saldova, R, Muniyappa, M, Brade, L, Rudd, P.M, Harvey, D.J, Kosma, P, Brade, H.
登録日2013-08-12
公開日2014-04-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014

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