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7TBZ
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BU of 7tbz by Molmil
The structure of ABCA1 Y482C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATP-binding cassette, ...
著者Sun, Y, Li, X.
登録日2021-12-22
公開日2022-01-26
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cholesterol efflux mechanism revealed by structural analysis of human ABCA1 conformational states.
Nat Cardiovasc Res, 1, 2022
5W4A
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BU of 5w4a by Molmil
C. japonica N-domain
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ...
著者Aoki, S.T, Bingman, C.A, Kimble, J.
登録日2017-06-09
公開日2018-06-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献C. elegans germ granules require both assembly and localized regulators for mRNA repression.
Nat Commun, 12, 2021
6N4L
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BU of 6n4l by Molmil
Dithionite-reduced ADP-bound form of the nitrogenase Fe-protein from A. vinelandii
分子名称: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Wenke, B.B, Spatzal, T, Rees, D.C.
登録日2018-11-19
公開日2019-02-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein.
Angew. Chem. Int. Ed. Engl., 58, 2019
6MX1
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BU of 6mx1 by Molmil
The crystal structure of the regulatory domain of aspartokinase in the bifunctional aspartokinase/homoserine dehydrogenase 1 from Escherichia coli str. K-12 substr. MG1655
分子名称: Bifunctional aspartokinase/homoserine dehydrogenase 1
著者Tan, K, Endres, M, Welk, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-30
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.671 Å)
主引用文献The crystal structure of the regulatory domain of aspartokinase in the bifunctional aspartokinase/homoserine dehydrogenase 1 from Escherichia coli str. K-12 substr. MG1655
To Be Published
6GAO
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BU of 6gao by Molmil
Crystal structure of the T1L reovirus sigma1 coiled coil tail and body
分子名称: CHLORIDE ION, Outer capsid protein sigma-1
著者Dietrich, M.H, Stehle, T.
登録日2018-04-11
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural and Functional Features of the Reovirus sigma 1 Tail.
J. Virol., 92, 2018
7ESL
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BU of 7esl by Molmil
Crystal structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, N247A N-glycan free form
分子名称: L-rhamnose-alpha-1,4-D-glucuronate lyase, SODIUM ION
著者Kondo, T, Arakawa, T, Fushinobu, S, Sakamoto, T.
登録日2021-05-11
公開日2021-08-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and functional analysis of gum arabic l-rhamnose-alpha-1,4-d-glucuronate lyase establishes a novel polysaccharide lyase family.
J.Biol.Chem., 297, 2021
6HIG
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BU of 6hig by Molmil
hPD-1/NBO1a Fab complex
分子名称: Heavy Chain, Light Chain, Programmed cell death protein 1
著者Loredo-Varela, J.L, Fenwick, C, Pantaleo, G, Weissenhorn, W.
登録日2018-08-29
公開日2019-06-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Tumor suppression of novel anti-PD-1 antibodies mediated through CD28 costimulatory pathway.
J.Exp.Med., 216, 2019
6FO7
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BU of 6fo7 by Molmil
Vitamin D nuclear receptor complex 3
分子名称: (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2018-02-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
3ZJ5
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BU of 3zj5 by Molmil
NEUROSPORA CRASSA CATALASE-3 EXPRESSED IN E. COLI, ORTHORHOMBIC FORM.
分子名称: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, CATALASE-3, ...
著者Zarate-Romero, A, Rudino-Pinera, E.
登録日2013-01-17
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conformational Stability and Crystal Packing: Polymorphism in Neurospora Crassa Cat-3
Acta Crystallogr.,Sect.F, 69, 2013
3L4S
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BU of 3l4s by Molmil
Crystal structure of C151G mutant of Glyceraldehyde 3-phosphate dehydrogenase 1 (GAPDH1) from methicillin resistant Staphylococcus aureus MRSA252 complexed with NAD and G3P
分子名称: 3-PHOSPHOGLYCERIC ACID, Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
登録日2009-12-21
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
5IN2
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BU of 5in2 by Molmil
Crystal structure of extra cellular Cu/Zn Superoxide Dismutase from Onchocerca volvulus at 1.5 Angstrom; Insight into novel binding site and new inhibitors
分子名称: AZIDE ION, CHLORIDE ION, COPPER (II) ION, ...
著者Moustafa, A, Betzel, C, Perbandt, M.
登録日2016-03-07
公開日2017-03-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of extracellular Cu/Zn Superoxide Dismutase from Onchocerca volvulus at 1.5 Angstrom; Insight into novel binding site and new inhibitors
To Be Published
5Y0Z
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BU of 5y0z by Molmil
Human SIRT2 in complex with a specific inhibitor, NPD11033
分子名称: (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, NAD-dependent protein deacetylase sirtuin-2, ZINC ION
著者Kudo, N, Ito, A, Yoshida, M.
登録日2017-07-19
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a novel small molecule that inhibits deacetylase but not defatty-acylase reaction catalysed by SIRT2.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
6JKE
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BU of 6jke by Molmil
Discovery and the crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2.
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, ...
著者Padmanabhan, B, Mathur, S, Deshmukh, P.
登録日2019-02-28
公開日2020-07-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel pyrano 1,3 oxazine based ligand inhibits the epigenetic reader hBRD2 in glioblastoma.
Biochem.J., 477, 2020
7DBN
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BU of 7dbn by Molmil
HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V/F160M:DNA:dCTP ternary complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
著者Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
登録日2020-10-21
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Biochemical and Structural Properties of Entecavir-Resistant Hepatitis B Virus Polymerase with L180M/M204V Mutations.
J.Virol., 95, 2021
6AAR
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BU of 6aar by Molmil
Crystal structure of DAPK1 in complex with purpurin
分子名称: Death-associated protein kinase 1, Purpurin
著者Yokoyama, T, Mizuguchi, M.
登録日2018-07-19
公開日2019-07-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and thermodynamic analyses of interactions between death-associated protein kinase 1 and anthraquinones.
Acta Crystallogr D Struct Biol, 76, 2020
6MDY
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BU of 6mdy by Molmil
Crystal structure of a 2-dehydro-3-deoxyphosphooctonate aldolase from Legionella pneumophila Philadelphia 1
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-09-05
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of a 2-dehydro-3-deoxyphosphooctonate aldolase from Legionella pneumophila Philadelphia 1
To Be Published
1LQP
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BU of 1lqp by Molmil
CRYSTAL STRUCTURE OF THE FOSFOMYCIN RESISTANCE PROTEIN (FOSA) CONTAINING BOUND SUBSTRATE
分子名称: FOSFOMYCIN, MANGANESE (II) ION, POTASSIUM ION, ...
著者Rife, C.L, Pharris, R.E, Newcomer, M.E, Armstrong, R.N.
登録日2002-05-11
公開日2002-09-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Crystal structure of a genomically encoded fosfomycin resistance protein (FosA) at 1.19 A resolution by MAD phasing off the L-III edge of Tl(+)
J.Am.Chem.Soc., 124, 2002
1PHA
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BU of 1pha by Molmil
INHIBITOR-INDUCED CONFORMATIONAL CHANGE IN CYTOCHROME P450-CAM
分子名称: 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Poulos, T.L.
登録日1992-07-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Inhibitor-induced conformational change in cytochrome P-450CAM.
Biochemistry, 32, 1993
4BKR
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BU of 4bkr by Molmil
Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C.
登録日2013-04-29
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
5X9D
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BU of 5x9d by Molmil
Crystal structure of homoserine dehydrogenase in complex with L-cysteine and NAD
分子名称: (2R)-3-[[(4S)-3-aminocarbonyl-1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4H-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid, Homoserine dehydrogenase, L(+)-TARTARIC ACID
著者Goto, M, Ogata, K, Kaneko, R, Yoshimune, K.
登録日2017-03-06
公開日2018-05-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of homoserine dehydrogenase by formation of a cysteine-NAD covalent complex
Sci Rep, 8, 2018
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
分子名称: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
5JVZ
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BU of 5jvz by Molmil
Crystal structure of flurbiprofen bound to S121P murine COX-2 mutant
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Malkowski, M.G, Orlando, B.J.
登録日2016-05-11
公開日2016-10-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit.
J.Biol.Chem., 291, 2016
3I4I
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BU of 3i4i by Molmil
Crystal structure of a prokaryotic beta-1,3-1,4-glucanase (lichenase) derived from a mouse hindgut metagenome
分子名称: 1,3-1,4-beta-glucanase, CALCIUM ION
著者Nakatani, Y, Nalder, T.D, Tannock, G.W, Cutfield, J.F, Jack, R.W, Carne, A.
登録日2009-07-01
公開日2010-07-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of a prokaryotic beta-1,3-1,4-glucanase (lichenase) derived from a mouse hindgut metagenome
To be Published
5GVA
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BU of 5gva by Molmil
WD40 domain of human AND-1
分子名称: WD repeat and HMG-box DNA-binding protein 1
著者Guan, C.C, Li, J.
登録日2016-09-04
公開日2017-04-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献The structure and polymerase-recognition mechanism of the crucial adaptor protein AND-1 in the human replisome
J. Biol. Chem., 292, 2017
6IJX
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Crystal Structure of AKR1C1 complexed with meclofenamic acid
分子名称: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X.
登録日2018-10-12
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018

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