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4ZWN
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BU of 4zwn by Molmil
Crystal Structure of a Soluble Variant of the Monoglyceride Lipase from Saccharomyces Cerevisiae
分子名称: Monoglyceride lipase, NITRATE ION, SODIUM ION, ...
著者Aschauer, P, Rengachari, S, Gruber, K, Oberer, M.
登録日2015-05-19
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
5VB3
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BU of 5vb3 by Molmil
X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide
分子名称: Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION
著者Li, X.
登録日2017-03-28
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5FH1
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BU of 5fh1 by Molmil
The structure of rat cytosolic PEPCK variant E89D in complex with GTP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
3RC3
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BU of 3rc3 by Molmil
Human Mitochondrial Helicase Suv3
分子名称: ATP-dependent RNA helicase SUPV3L1, mitochondrial, AZIDE ION, ...
著者Dauter, Z, Jedrzejczak, R, Dauter, M, Szczesny, R, Stepien, P.
登録日2011-03-30
公開日2011-05-11
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Human Suv3 protein reveals unique features among SF2 helicases.
Acta Crystallogr.,Sect.D, 67, 2011
6RGN
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BU of 6rgn by Molmil
BteA131
分子名称: DUF3120 domain-containing protein, SODIUM ION, SULFATE ION
著者Davidov, G, Zarivach, R.
登録日2019-04-17
公開日2019-09-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure and membrane-targeting of a Bordetella pertussis effector N-terminal domain.
Biochim Biophys Acta Biomembr, 1861, 2019
3RJH
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BU of 3rjh by Molmil
Ternary complex of DNA Polymerase Beta with a gapped DNA containing (syn)8odG:dA at primer terminus and dG:dCMP(CF2)PPin the active site
分子名称: 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*(8OG)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Beard, W.A, Wilson, S.H.
登録日2011-04-15
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Binary complex crystal structure of DNA polymerase beta reveals multiple conformations of the templating 8-oxoguanine lesion
Proc.Natl.Acad.Sci.USA, 109, 2012
5V09
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BU of 5v09 by Molmil
Crystal structure of human exonuclease 1 Exo1 (D225A) in complex with 5' recessed-end DNA (rVII)
分子名称: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(P*AP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
著者Shi, Y, Beese, L.S.
登録日2017-02-28
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V4I
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BU of 5v4i by Molmil
Osmium(II)(cymene)(chlorido)2-lysozyme adduct with one binding site
分子名称: Lysozyme C, SODIUM ION, dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium
著者Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
登録日2017-03-09
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The metalation of hen egg white lysozyme impacts protein stability as shown by ion mobility mass spectrometry, differential scanning calorimetry, and X-ray crystallography.
Chem. Commun. (Camb.), 53, 2017
3QQ0
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BU of 3qq0 by Molmil
Crystal structure of a deletion mutant (N59) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ...
著者Allison, T.M, Jameson, G.B, Parker, E.J.
登録日2011-02-14
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase
Biochemistry, 50, 2011
5VAW
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BU of 5vaw by Molmil
Fusion of Maltose-binding Protein and PilA from Acinetobacter baumannii AB5075
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTAMIC ACID, LYSINE, ...
著者Piepenbrink, K.H, Sundberg, E.J.
登録日2017-03-28
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The structure of PilA fromAcinetobacter baumanniiAB5075 suggests a mechanism for functional specialization inAcinetobactertype IV pili.
J. Biol. Chem., 294, 2019
3QLJ
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BU of 3qlj by Molmil
Crystal structure of a short chain dehydrogenase from Mycobacterium avium
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-02-02
公開日2011-02-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QVM
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BU of 3qvm by Molmil
The structure of olei00960, a hydrolase from Oleispira antarctica
分子名称: CALCIUM ION, CHLORIDE ION, Olei00960, ...
著者Singer, A.U, Kagan, O, Kim, Y, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-25
公開日2011-04-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
6TLR
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BU of 6tlr by Molmil
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE
分子名称: 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J.
登録日2019-12-03
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
5UOV
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BU of 5uov by Molmil
HIV-1 wild Type protease with GRL-1118A , an isophthalamide-derived P2-P3 ligand with the sulfonamide isostere as the P2' group
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2017-02-01
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex.
Bioorg. Med. Chem., 25, 2017
6K82
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BU of 6k82 by Molmil
RGLG1 mutant-D338A E378A
分子名称: E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION, SODIUM ION
著者Wang, Q, Wu, Y.
登録日2019-06-11
公開日2020-06-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献RGLG1 mutant-D338A E378A
To Be Published
6K89
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BU of 6k89 by Molmil
The closed state of RGLG1 VWA domain
分子名称: E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION, SODIUM ION
著者Wang, Q, Wu, Y.
登録日2019-06-11
公開日2020-06-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献The closed state of RGLG1 VWA domain
To Be Published
6S2T
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BU of 6s2t by Molmil
Structure of the N-terminal catalytic region of T. thermophilus Rel bound to ppGpp
分子名称: (P)ppGpp synthetase I, SpoT/RelA, CHLORIDE ION, ...
著者Garcia-Pino, A.
登録日2019-06-22
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A nucleotide-switch mechanism mediates opposing catalytic activities of Rel enzymes.
Nat.Chem.Biol., 16, 2020
5AMF
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BU of 5amf by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening)
分子名称: BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION
著者Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
登録日2015-03-10
公開日2015-03-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
5AME
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BU of 5ame by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening)
分子名称: 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, SODIUM ION
著者Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
登録日2015-03-10
公開日2015-03-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.578 Å)
主引用文献Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
6RJ4
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BU of 6rj4 by Molmil
Molybdenum storage protein - P6422, ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Ermler, U, Bruenle, S.
登録日2019-04-26
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Proc.Natl.Acad.Sci.USA, 2019
5BW6
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BU of 5bw6 by Molmil
Tryptophan Synthase from Salmonella typhimurium in complex with a single molecule of 2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate (F6) in the alpha-site.
分子名称: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
著者Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2015-06-06
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
5FH2
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BU of 5fh2 by Molmil
The structure of rat cytosolic PEPCK variant E89Q in complex with GTP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
1PO8
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BU of 1po8 by Molmil
Crystal structure of a complex formed between krait venom phospholipase A2 and heptanoic acid at 2.7 A resolution.
分子名称: HEPTANOIC ACID, Phospholipase A2, SODIUM ION
著者Singh, G, Jayasankar, J, Sharma, S, Kaur, P, Singh, T.P.
登録日2003-06-14
公開日2004-05-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal structure of a complex formed between krait venom phospholipase A2 and heptanoic acid at 2.7 A resolution.
To be Published
5W2P
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BU of 5w2p by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5BWI
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BU of 5bwi by Molmil
Crystallographic structure of a bacterial heparanase
分子名称: ACETATE ION, GLYCEROL, Glycoside Hydrolase Family 79, ...
著者Yu, X, Blanchard, H.
登録日2015-06-08
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Functional and structural characterization of a heparanase.
Nat.Chem.Biol., 11, 2015

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