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1JGM
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BU of 1jgm by Molmil
High Resolution Structure of the Cadmium-containing Phosphotriesterase from Pseudomonas diminuta
分子名称: 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, CADMIUM ION, ...
著者Benning, M.M, Shim, H, Raushel, F.M, Holden, H.M.
登録日2001-06-26
公開日2001-07-04
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta.
Biochemistry, 40, 2001
7LOB
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BU of 7lob by Molmil
T4 lysozyme mutant L99A in complex with 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
分子名称: 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
著者Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
登録日2021-02-09
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
3BYQ
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BU of 3byq by Molmil
Crystal structure of a duf1185 family protein (bb2672) from bordetella bronchiseptica rb50 at 1.70 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, TETRAETHYLENE GLYCOL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2008-01-16
公開日2008-01-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of the first representatives of Pfam family PF06684 (DUF1185) reveal a novel variant of the Bacillus chorismate mutase fold and suggest a role in amino-acid metabolism.
Acta Crystallogr.,Sect.F, 66, 2010
3KK1
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BU of 3kk1 by Molmil
HIV-1 reverse transcriptase-DNA complex with nuceotide inhibitor GS-9148-diphosphate bound in nucleotide site
分子名称: 5'-D(*A*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', 5'-D(*AP*CP*A*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3', MAGNESIUM ION, ...
著者Lansdon, E.B.
登録日2009-11-04
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.
J.Mol.Biol., 397, 2010
5ZGV
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BU of 5zgv by Molmil
Crystal structure of NDM-1 at pH8.0 (Tris) with 2 molecules per asymmetric unit
分子名称: GLYCEROL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
3CY6
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BU of 3cy6 by Molmil
Crystal Structure of E18Q DJ-1
分子名称: Protein DJ-1
著者Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hasim, S, Pozharski, E, Wilson, M.A.
登録日2008-04-25
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
3KK3
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BU of 3kk3 by Molmil
HIV-1 reverse transcriptase-DNA complex with GS-9148 terminated primer
分子名称: 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*C*(URT))-3', 5'-D(*AP*TP*GP*GP*TP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ...
著者Lansdon, E.B.
登録日2009-11-04
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.
J.Mol.Biol., 397, 2010
4C7G
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BU of 4c7g by Molmil
Structure and activity of the GH20 beta-N-acetylhexosaminidase from Streptomyces coelicolor A3(2)
分子名称: 1,2-ETHANEDIOL, 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, BETA-N-ACETYLHEXOSAMINIDASE
著者Nguyenthi, N, Offen, W.A, Davies, G.J, Doucet, N.
登録日2013-09-20
公開日2014-03-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Activity of the Streptomyces Coelicolor A3(2) Beta-N-Acetylhexosaminidase Provides Further Insight Into Gh20 Family Catalysis and Inhibition.
Biochemistry, 53, 2014
5I8G
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BU of 5i8g by Molmil
CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
3L22
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BU of 3l22 by Molmil
CRYSTAL STRUCTURE OF A SUSD SUPERFAMILY PROTEIN (BF_0597) FROM BACTEROIDES FRAGILIS AT 2.05 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SusD superfamily protein, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-12-14
公開日2010-01-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of SusD superfamily protein (YP_210307.1) from Bacteroides fragilis NCTC 9343 at 2.05 A resolution
To be published
3D5W
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BU of 3d5w by Molmil
Crystal structure of a phosphorylated Polo-like kinase 1 (Plk1) catalytic domain in complex with ADP.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Polo-like kinase 1
著者Elling, R.A, Fucini, R.V, Romanowski, M.J.
登録日2008-05-17
公開日2008-08-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands.
Acta Crystallogr.,Sect.D, 64, 2008
3YGS
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BU of 3ygs by Molmil
APAF-1 CARD IN COMPLEX WITH PRODOMAIN OF PROCASPASE-9
分子名称: APOPTOTIC PROTEASE ACTIVATING FACTOR 1, PROCASPASE 9
著者Qin, H, Srinivasula, S, Wu, G, Fernandes-Alnemri, T, Alnemri, E, Shi, Y.
登録日1999-05-08
公開日2000-04-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of procaspase-9 recruitment by the apoptotic protease-activating factor 1.
Nature, 399, 1999
2X7J
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BU of 2x7j by Molmil
Structure of the menaquinone biosynthesis protein MenD from Bacillus subtilis
分子名称: 1,2-ETHANEDIOL, 2-SUCCINYL-5-ENOLPYRUVYL-6-HYDROXY-3-CYCLOHEXENE -1-CARBOXYLATE SYNTHASE, MANGANESE (II) ION, ...
著者Dawson, A, Chen, M, Fyfe, P.K, Guo, Z, Hunter, W.N.
登録日2010-03-01
公開日2010-07-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure and Reactivity of Bacillus Subtilis Mend Catalyzing the First Committed Step in Menaquinone Biosynthesis.
J.Mol.Biol., 401, 2010
2AE0
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BU of 2ae0 by Molmil
Crystal structure of MltA from Escherichia coli reveals a unique lytic transglycosylase fold
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Membrane-bound lytic murein transglycosylase A
著者Van Straaten, K.E, Dijkstra, B.W, Vollmer, W, Thunnissen, A.M.W.H.
登録日2005-07-21
公開日2005-10-04
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 MltA from Escherichia coli Reveals a Unique Lytic Transglycosylase Fold
J.Mol.Biol., 352, 2005
2X8K
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BU of 2x8k by Molmil
Crystal Structure of SPP1 Dit (gp 19.1) Protein, a Paradigm of Hub Adsorption Apparatus in Gram-positive Infecting Phages.
分子名称: HYPOTHETICAL PROTEIN 19.1
著者Veesler, D, Robin, G, Lichiere, J, Auzat, I, Tavares, P, Bron, P, Campanacci, V, Cambillau, C.
登録日2010-03-10
公開日2010-09-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal Structure of Bacteriophage Spp1 Distal Tail Protein (Gp 19.1): A Baseplate Hub Paradigm in Gram+ Infecting Phages.
J.Biol.Chem., 285, 2010
2PMJ
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BU of 2pmj by Molmil
Crystal structure of the complex formed between phospholipase A2 and 1, 2 benzopyrone at 2.4 A resolution
分子名称: ACETONITRILE, COUMARIN, Phospholipase A2 VRV-PL-VIIIa
著者Kumar, S, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
登録日2007-04-23
公開日2007-05-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the complex formed between phospholipase A2 and 1, 2 benzopyrone at 2.4 A resolution
to be published
3ACZ
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BU of 3acz by Molmil
Crystal structure of Entamoeba histolytica methionine gamma-lyase 1
分子名称: GLYCEROL, Methionine gamma-lyase, SULFATE ION
著者Karaki, T, Sato, D, Shimizu, A, Nozaki, T, Harada, S.
登録日2010-01-13
公開日2011-02-09
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of Entamoeba histolytica methionine gamma-lyase 1
To be Published
4CS8
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BU of 4cs8 by Molmil
Crystal structure of the asymmetric human metapneumovirus M2-1 tetramer, form 2
分子名称: M2-1, ZINC ION
著者Leyrat, C, Renner, M, Harlos, K, Grimes, J.M.
登録日2014-03-05
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Drastic Changes in Conformational Dynamics of the Antiterminator M2-1 Regulate Transcription Efficiency in Pneumovirinae.
Elife, 3, 2014
4JZX
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BU of 4jzx by Molmil
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-BUTYL-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, IPP and Ca2+
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, CALCIUM ION, ...
著者Aripirala, S, Gabelli, S, Amzel, L.M.
登録日2013-04-03
公開日2014-03-05
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
3LGX
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BU of 3lgx by Molmil
Structure of probable D-alanine-poly(phosphoribitol) ligase subunit-1 from Streptococcus pyogenes with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-alanine--poly(phosphoribitol) ligase subunit 1
著者Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-01-21
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of probable D-alanine-poly(phosphoribitol) ligase subunit-1 from Streptococcus pyogenes with ATP
To be published
1TQJ
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BU of 1tqj by Molmil
Crystal structure of D-ribulose 5-phosphate 3-epimerase from Synechocystis to 1.6 angstrom resolution
分子名称: Ribulose-phosphate 3-epimerase
著者Wise, E.L, Akana, J, Gerlt, J.A, Rayment, I.
登録日2004-06-17
公開日2004-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of D-ribulose 5-phosphate 3-epimerase from Synechocystis to 1.6 A resolution.
Acta Crystallogr.,Sect.D, 60, 2004
3AHN
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BU of 3ahn by Molmil
PZ PEPTIDASE A with Inhibitor 1
分子名称: ACETATE ION, N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine, Oligopeptidase, ...
著者Nakano, H.
登録日2010-04-25
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The exquisite structure and reaction mechanism of bacterial Pz-peptidase A toward collagenous peptides: X-ray crystallographic structure analysis of PZ-peptidase a reveals differences from mammalian thimet oligopeptidase.
J.Biol.Chem., 285, 2010
4CG8
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BU of 4cg8 by Molmil
Human choline kinase a1 in complex with compound 14
分子名称: 1-benzyl-4-(dimethylamino)pyridinium, 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium, CHOLINE KINASE ALPHA
著者Rubio-Ruiz, B, Figuerola-Conchas, A, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A.
登録日2013-11-21
公開日2014-01-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
4HOY
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BU of 4hoy by Molmil
Crystal structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 1.78 A resolution
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-10-23
公開日2012-11-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
1BC9
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CYTOHESIN-1/B2-1 SEC7 DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: CYTOHESIN-1
著者Betz, S.F, Schnuchel, A, Wang, H, Olejniczak, E.T, Meadows, R.P, Fesik, S.W.
登録日1998-05-06
公開日1999-05-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the cytohesin-1 (B2-1) Sec7 domain and its interaction with the GTPase ADP ribosylation factor 1.
Proc.Natl.Acad.Sci.USA, 95, 1998

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