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4ZIX
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Structure of HEWL using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Fromme, R, Ishchenko, A, Metz, M, Roy-Chowdhury, S, Basu, S, Boutet, S, Fromme, P, White, T.A, Barty, A, Spence, J.C.H, Weierstall, U, Liu, W, Cherezov, V.
登録日2015-04-28
公開日2015-08-12
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase
IUCrJ, 2, 2015
1MMX
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BU of 1mmx by Molmil
Crystal structure of galactose mutarotase from Lactococcus lactis complexed with D-fucose
分子名称: Aldose 1-epimerase, SODIUM ION, alpha-L-fucopyranose
著者Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M.
登録日2002-09-04
公開日2002-09-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis.
J.Biol.Chem., 277, 2002
6E3R
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BU of 6e3r by Molmil
Structure of human DNA polymerase beta complexed with 8OA as the template base in a 1-nucleotide gapped DNA
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2018-07-14
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Mutagenic Replication of the Major Oxidative Adenine Lesion 7,8-Dihydro-8-oxoadenine by Human DNA Polymerases.
J. Am. Chem. Soc., 141, 2019
6DZ4
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BU of 6dz4 by Molmil
Crystal structure of Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2018-07-02
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta site
To be Published
6E3V
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BU of 6e3v by Molmil
Structure of human DNA polymerase beta complexed with 8OA in the template base paired with incoming non-hydrolyzable TTP
分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2018-07-15
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Mutagenic Replication of the Major Oxidative Adenine Lesion 7,8-Dihydro-8-oxoadenine by Human DNA Polymerases.
J. Am. Chem. Soc., 141, 2019
6E3W
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BU of 6e3w by Molmil
Structure of human DNA polymerase beta complexed with 8OA in the template base paired with incoming non-hydrolyzable GTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2018-07-15
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Mutagenic Replication of the Major Oxidative Adenine Lesion 7,8-Dihydro-8-oxoadenine by Human DNA Polymerases.
J. Am. Chem. Soc., 141, 2019
1WKY
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Crystal structure of alkaline mannanase from Bacillus sp. strain JAMB-602: catalytic domain and its Carbohydrate Binding Module
分子名称: CALCIUM ION, CHLORIDE ION, SODIUM ION, ...
著者Akita, M, Takeda, N, Hirasawa, K, Sakai, H, Kawamoto, M, Yamamoto, M, Grant, W.D, Hatada, Y, Ito, S, Horikoshi, K.
登録日2004-06-15
公開日2005-06-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystallization and preliminary X-ray study of alkaline mannanase from an alkaliphilic Bacillus isolate.
Acta Crystallogr.,Sect.D, 60, 2004
6E3X
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BU of 6e3x by Molmil
Structure of human DNA polymerase beta complexed with 8OA in the template base paired with incoming non-hydrolyzable ATP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2018-07-15
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of human DNA polymerase beta complexed with 8OA in the template base paired with incoming non-hydrolyzable ATP
To Be Published
4Z6F
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BU of 4z6f by Molmil
Structure of human DNA polymerase beta 279NA mutant complexed with G in the template base paired with incoming non-hydrolyzable TTP and MANGANESE
分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*(6OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2015-04-04
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Insights into the effect of minor groove interactions and metal cofactors on mutagenic replication by human DNA polymerase beta.
Biochem. J., 475, 2018
3I4Q
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BU of 3i4q by Molmil
Structure of a putative inorganic pyrophosphatase from the oil-degrading bacterium Oleispira antarctica
分子名称: APC40078, SODIUM ION
著者Singer, A.U, Evdokimova, E, Kagan, O, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-02
公開日2009-07-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
4ZLS
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BU of 4zls by Molmil
HIV-1 wild Type protease with GRL-096-13A (a Boc-derivative P2-Ligand, 3,-5-dimethylbiphenyl P1-Ligand)
分子名称: ACETATE ION, CHLORIDE ION, Protease, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2015-05-01
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structure-Based Design of Potent HIV-1 Protease Inhibitors with Modified P1-Biphenyl Ligands: Synthesis, Biological Evaluation, and Enzyme-Inhibitor X-ray Structural Studies.
J.Med.Chem., 58, 2015
4ZJU
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BU of 4zju by Molmil
Structure of a NADH-dependent enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-04-29
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of a NADH-dependent enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD
to be published
1N11
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BU of 1n11 by Molmil
D34 REGION OF HUMAN ANKYRIN-R AND LINKER
分子名称: Ankyrin, BROMIDE ION, CHLORIDE ION
著者Michaely, P, Tomchick, D.R, Machius, M, Anderson, R.G.W.
登録日2002-10-16
公開日2002-12-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a 12 ANK repeat stack from human ankyrinR
Embo J., 21, 2002
6E6G
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BU of 6e6g by Molmil
KRAS G13D bound to GDP (K13GDP)
分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Johnson, C.W, Mattos, C.
登録日2018-07-24
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
1J70
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BU of 1j70 by Molmil
CRYSTAL STRUCTURE OF YEAST ATP SULFURYLASE
分子名称: ATP SULPHURYLASE, PHOSPHATE ION, SODIUM ION
著者Lalor, D.J, Schnyder, T, Saridakis, V, Pilloff, D.E, Dong, A, Tang, H, Leyh, T.S, Pai, E.F.
登録日2001-05-15
公開日2003-06-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional analysis of a truncated form of Saccharomyces cerevisiae ATP sulfurylase: C-terminal domain essential for oligomer formation but not for activity.
Protein Eng., 16, 2003
6EPZ
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BU of 6epz by Molmil
Structure of the periplasmic binding protein MelB (Atu4661) in complex with melibiose from Agrobacterium fabrum C58
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Vigouroux, A, Morera, S.
登録日2017-10-12
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The plant defense signal galactinol is specifically used as a nutrient by the bacterial pathogenAgrobacterium fabrum.
J. Biol. Chem., 293, 2018
6E7J
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HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold as the P2 ligand
分子名称: (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2018-07-26
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies.
J. Med. Chem., 61, 2018
3HTL
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BU of 3htl by Molmil
Structure of the Corynebacterium diphtheriae major pilin SpaA points to a modular pilus assembly with stabilizing isopeptide bonds
分子名称: CALCIUM ION, Putative surface-anchored fimbrial subunit, SODIUM ION
著者Kang, H.J, Paterson, N.G, Gaspar, A.H, Ton-That, H, Baker, E.N.
登録日2009-06-11
公開日2009-09-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Corynebacterium diphtheriae shaft pilin SpaA is built of tandem Ig-like modules with stabilizing isopeptide and disulfide bonds
Proc.Natl.Acad.Sci.USA, 106, 2009
3I6O
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BU of 3i6o by Molmil
Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate, GLYCEROL, IODIDE ION, ...
著者Chumanevich, A.A, Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T.
登録日2009-07-07
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance.
J.Med.Chem., 52, 2009
5AZP
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BU of 5azp by Molmil
Crystal structure of a membrane protein from Pseudomonas aeruginosa
分子名称: (2S)-1-(pentanoyloxy)propan-2-yl hexanoate, ACETATE ION, FORMIC ACID, ...
著者Yonehara, R, Yamashita, E, Nakagawa, A.
登録日2015-10-21
公開日2016-06-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structures of OprN and OprJ, outer membrane factors of multidrug tripartite efflux pumps of Pseudomonas aeruginosa.
Proteins, 84, 2016
3V7K
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BU of 3v7k by Molmil
Co-crystal structure of K72E variant of rat polymerase beta: Enzyme-DNA binary complex
分子名称: DNA (5'-D(P*AP*TP*GP*TP*GP*AP*GP*T)-3'), DNA (5'-D(P*CP*AP*AP*AP*CP*TP*CP*AP*CP*AP*A)-3'), DNA polymerase beta, ...
著者Rangarajan, S, Jaeger, J.
登録日2011-12-21
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.271 Å)
主引用文献Crystallographic studies of K72E mutant DNA polymerase explain loss of lyase function and reveal changes in the overall conformational state of the polymerase domain
To be Published
7W8N
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BU of 7w8n by Molmil
Microbial Hormone-sensitive lipase E53 wild type
分子名称: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
著者Yang, X, Li, Z, Xu, X, Li, J.
登録日2021-12-08
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
5BPL
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BU of 5bpl by Molmil
Crystal structure of ADP and Pi bound human Hsp70 NBD mutant R272K.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-28
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
7W4A
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BU of 7w4a by Molmil
Cryo-EM structure of the gastric proton pump complexed with revaprazan
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
著者Abe, K, Tanaka, S, Morita, M, Yamagishi, T.
登録日2021-11-26
公開日2022-03-02
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
5AXC
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Crystal structure of mouse SAHH complexed with 3'-keto aristeromycin
分子名称: (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kusakabe, Y, Ishihara, M, Tanaka, N.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of mouse SAHH complexed with 3'-keto aristeromycin
To Be Published

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