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1NQJ
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CRYSTAL STRUCTURE OF CLOSTRIDIUM HISTOLYTICUM COLG COLLAGENASE COLLAGEN-BINDING DOMAIN 3B AT 1.0 ANGSTROM RESOLUTION IN ABSENCE OF CALCIUM
分子名称: CHLORIDE ION, LITHIUM ION, class 1 collagenase
著者Wilson, J.J, Matsushita, O, Okabe, A, Sakon, J.
登録日2003-01-21
公開日2003-04-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献A bacterial collagen-binding domain with novel calcium-binding motif controls domain orientation
Embo J., 22, 2003
7GTS
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BU of 7gts by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000604a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(4-methoxyphenyl)glycinamide, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
3MEQ
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BU of 3meq by Molmil
Crystal structure of alcohol dehydrogenase from Brucella melitensis
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase, ...
著者Arakaki, T.L, Staker, B.L, Gardberg, A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-03-31
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of alcohol dehydrogenase from Brucella melitensis
To be Published
7GSA
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PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000260a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ethyl (3-chlorophenyl)carbamate
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GPB
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BU of 7gpb by Molmil
STRUCTURAL MECHANISM FOR GLYCOGEN PHOSPHORYLASE CONTROL BY PHOSPHORYLATION AND AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE, ...
著者Barford, D, Hu, S.-H, Johnson, L.N.
登録日1990-11-13
公開日1992-10-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural mechanism for glycogen phosphorylase control by phosphorylation and AMP.
J.Mol.Biol., 218, 1991
1VK4
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BU of 1vk4 by Molmil
Crystal structure of PfkB Carbohydrate kinase (TM0415) from Thermotoga maritima at 1.91 A resolution
分子名称: PfkB Carbohydrate kinase TM0415
著者Joint Center for Structural Genomics (JCSG)
登録日2004-04-26
公開日2004-05-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of PfkB Carbohydrate kinase (TM0415) from Thermotoga maritima at 1.91 A resolution
To be published
1GNQ
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BU of 1gnq by Molmil
X-RAY CRYSTAL STRUCTURE ANALYSIS OF THE CATALYTIC DOMAIN OF THE ONCOGENE PRODUCT P21H-RAS COMPLEXED WITH CAGED GTP AND MANT DGPPNHP
分子名称: C-H-RAS P21 PROTEIN, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION
著者Scheidig, A, Franken, S.M, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Pai, E.F, Goody, R.S.
登録日1995-05-11
公開日1995-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray crystal structure analysis of the catalytic domain of the oncogene product p21H-ras complexed with caged GTP and mant dGppNHp.
J.Mol.Biol., 253, 1995
7GCR
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BU of 7gcr by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with WAR-XCH-72a8c209-5 (Mpro-x10728)
分子名称: 1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
6HUJ
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CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with picrotoxin, GABA and megabody Mb38.
分子名称: (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
著者Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R.
登録日2018-10-08
公開日2019-01-02
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
1Z4J
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BU of 1z4j by Molmil
Structure of the D41N variant of the human mitochondrial deoxyribonucleotidase in complex with uridine 2'-monophosphate
分子名称: 5'(3')-deoxyribonucleotidase, GLYCEROL, MAGNESIUM ION, ...
著者Wallden, K, Ruzzenente, B, Rinaldo-Matthis, A, Bianchi, V, Nordlund, P.
登録日2005-03-16
公開日2005-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for substrate specificity of the human mitochondrial deoxyribonucleotidase
STRUCTURE, 13, 2005
7R7A
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BU of 7r7a by Molmil
State E1 nucleolar 60S ribosome biogenesis intermediate - Composite model
分子名称: 25S rRNA, 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ...
著者Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P.
登録日2021-06-24
公開日2022-11-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Sequence-specific remodeling of a topologically complex RNP substrate by Spb4.
Nat.Struct.Mol.Biol., 29, 2022
171L
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BU of 171l by Molmil
PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Heinz, D, Matthews, B.W.
登録日1995-03-24
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
6LC9
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BU of 6lc9 by Molmil
Crystal structure of AmpC Ent385 complex form with ceftazidime
分子名称: 1,4-DIETHYLENE DIOXIDE, ACYLATED CEFTAZIDIME, Beta-lactamase, ...
著者Kawai, A, Doi, Y.
登録日2019-11-18
公開日2020-04-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020
4ANS
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BU of 4ans by Molmil
Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2012-03-22
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
To be Published
5PHI
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BU of 5phi by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09480a
分子名称: 1,2-ETHANEDIOL, 2-methyl-1~{H}-benzimidazole, Lysine-specific demethylase 4D, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5SNK
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BU of 5snk by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434941
分子名称: (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
4AOW
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BU of 4aow by Molmil
Crystal structure of the human Rack1 protein at a resolution of 2.45 angstrom
分子名称: GLYCEROL, GUANINE NUCLEOTIDE-BINDING PROTEIN SUBUNIT BETA-2-LIKE 1
著者Ruiz Carrillo, D, Chandrasekaran, R, Nilsson, M, Cornvick, T, Liew, C.W, Tan, S.M, Lescar, J.
登録日2012-03-30
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of Human Rack1 Protein at a Resolution of 2.45 A.
Acta Crystallogr.,Sect.F, 68, 2012
1Z8J
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BU of 1z8j by Molmil
Crystal structure of the thrombin mutant G193P bound to PPACK
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, ...
著者Bobofchak, K.M, Pineda, A.O, Mathews, F.S, Di Cera, E.
登録日2005-03-30
公開日2005-05-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Energetic and structural consequences of perturbing Gly-193 in the oxyanion hole of serine proteases
J.Biol.Chem., 280, 2005
4APY
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BU of 4apy by Molmil
Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ...
著者Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R.
登録日2012-04-09
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway.
Environ.Microbiol., 15, 2013
5SOH
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BU of 5soh by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31432226
分子名称: (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
2Z9V
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Crystal structure of pyridoxamine-pyruvate aminotransferase complexed with pyridoxamine
分子名称: 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, Aspartate aminotransferase, GLYCEROL, ...
著者Yoshikane, Y, Yokochi, N, Yamasaki, M, Mizutani, K, Ohnishi, K, Mikami, B, Hayashi, H, Yagi, T.
登録日2007-09-26
公開日2007-11-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of pyridoxamine-pyruvate aminotransferase from Mesorhizobium loti MAFF303099
J.Biol.Chem., 283, 2008
5PHB
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BU of 5phb by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09447a
分子名称: 1,2-ETHANEDIOL, 6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one, Lysine-specific demethylase 4D, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.338 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4LGU
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Crystal structure of clAP1 BIR3 bound to T3226692
分子名称: (3S,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dougan, D.R, Mol, C.D, Snell, G.P.
登録日2013-06-28
公開日2013-08-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists.
Bioorg.Med.Chem., 21, 2013
7FUN
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BU of 7fun by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(4-benzylpiperazin-1-yl)methyl]-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
分子名称: (5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid, CHLORIDE ION, Cyclic GMP-AMP synthase, ...
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Galley, G, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
5SZX
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Epstein-Barr virus Zta DNA binding domain homodimer in complex with methylated DNA
分子名称: DNA (5'-D(*AP*AP*GP*CP*AP*CP*TP*GP*AP*GP*(5CM)P*GP*AP*TP*GP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*CP*AP*TP*(5CM)P*GP*CP*TP*CP*AP*GP*TP*GP*CP*T)-3'), PHOSPHATE ION, ...
著者Hong, S, Horton, J.R, Cheng, X.
登録日2016-08-15
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Methyl-dependent and spatial-specific DNA recognition by the orthologous transcription factors human AP-1 and Epstein-Barr virus Zta.
Nucleic Acids Res., 45, 2017

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