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7TJO
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BU of 7tjo by Molmil
HIV-1 gp120 complex with CJF-II-197-S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ...
著者Gong, Z, Hendrickson, W.A.
登録日2022-01-16
公開日2023-01-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
ACS Medicinal Chemistry Letters, 14, 2023
4UTC
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BU of 4utc by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN E, ...
著者Kikuti, C, Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4BKQ
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BU of 4bkq by Molmil
Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519
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 (2.3 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
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
5JAM
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BU of 5jam by Molmil
Yersinia pestis FabV variant T276V
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 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
5JAI
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BU of 5jai by Molmil
Yersinia pestis FabV variant T276G
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 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
5JAQ
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BU of 5jaq by Molmil
Yersinia pestis FabV variant T276C
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 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
5G2O
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BU of 5g2o by Molmil
Yersinia pestis FabV variant T276A
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
登録日2016-04-11
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 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
2FHY
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BU of 2fhy by Molmil
Structure of human liver FPBase complexed with a novel benzoxazole as allosteric inhibitor
分子名称: 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
著者Abad-Zapatero, C.
登録日2005-12-27
公開日2006-02-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-bisphosphatase with a distinct binding mode.
Bioorg.Med.Chem.Lett., 16, 2006
4UTB
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BU of 4utb by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11
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, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, ...
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.85 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4UT7
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BU of 4ut7 by Molmil
CRYSTAL STRUCTURE OF THE SCFV FRAGMENT OF THE BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11
分子名称: BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
6CG1
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BU of 6cg1 by Molmil
Crystal Structure of KDM4A with Compound 14
分子名称: 3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Hosfield, D.J, Nie, Z.
登録日2018-02-19
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure-based design and discovery of potent and selective KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6CG2
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BU of 6cg2 by Molmil
Crystal Structure of KDM4A with Compound 8
分子名称: 2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Hosfield, D.J, Nie, Z.
登録日2018-02-19
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure-based design and discovery of potent and selective KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
4UT6
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BU of 4ut6 by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 B7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 B7, ...
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4UTA
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BU of 4uta by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C8
分子名称: BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8 HEAVY CHAIN, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8 LIGHT CHAIN, ENVELOPE GLYCOPROTEIN E, ...
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4UT9
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BU of 4ut9 by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein dimer in complex with the ScFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C10, ENVELOPE GLYCOPROTEIN E
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
6W4K
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BU of 6w4k by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011
分子名称: 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
著者Hosfield, D.J.
登録日2020-03-11
公開日2020-10-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1).
J.Med.Chem., 63, 2020
3E8N
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BU of 3e8n by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) complexed with a potent inhibitor RDEA119 and MgATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Yan, S, Wang, Z.M.
登録日2008-08-20
公開日2009-09-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献RDEA119/BAY 869766: a potent, selective, allosteric inhibitor of MEK1/2 for the treatment of cancer.
Cancer Res., 69, 2009
2M0M
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BU of 2m0m by Molmil
Structural Characterization of Minor Ampullate Spidroin Domains and their Distinct Roles in Fibroin Solubility and Fiber Formation
分子名称: Minor ampullate fibroin 1
著者Yang, D, Gao, Z, Lin, Z, Huang, W, Lai, C, Fan, J.
登録日2012-10-30
公開日2013-03-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural characterization of minor ampullate spidroin domains and their distinct roles in fibroin solubility and fiber formation
Plos One, 8, 2013
4RDT
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BU of 4rdt by Molmil
Structure of the bacterial Zn-transporter ZnuD from Neisseria meningitidis (flexible conformation bound to a zinc ion)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, GLYCEROL, SULFATE ION, ...
著者Calmettes, C, El Bakkouri, M, Moraes, T.F.
登録日2014-09-19
公開日2015-08-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Nat Commun, 6, 2015
4RDR
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BU of 4rdr by Molmil
Structure of the bacterial Zn-transporter ZnuD from Neisseria meningitidis (locked conformation bound to zinc and cadmium ions)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, CADMIUM ION, ...
著者Calmettes, C, Moraes, T.F.
登録日2014-09-19
公開日2015-08-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.472 Å)
主引用文献The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Nat Commun, 6, 2015
4RVW
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BU of 4rvw by Molmil
Structure of the bacterial Zn-transporter ZnuD from Neisseria meningitidis (soaked with 20 micromolar Zinc)
分子名称: SULFATE ION, ZINC ION, ZnuD
著者Calmettes, C, Moraes, T.F.
登録日2014-11-28
公開日2015-08-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.477 Å)
主引用文献The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Nat Commun, 6, 2015
6M4J
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BU of 6m4j by Molmil
SspA in complex with cysteine
分子名称: CYSTEINE, PYRIDOXAL-5'-PHOSPHATE, SspA complex protein
著者Liu, L, Gao, H.
登録日2020-03-07
公開日2020-04-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Analysis of an l-Cysteine Desulfurase from an Ssp DNA Phosphorothioation System.
Mbio, 11, 2020
7PVC
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BU of 7pvc by Molmil
The structure of Kbp.K from E. coli with potassium bound.
分子名称: POTASSIUM ION, Potassium binding protein Kbp
著者Smith, B.O.
登録日2021-10-01
公開日2021-10-13
最終更新日2023-10-11
実験手法SOLUTION NMR
主引用文献Tuning the Sensitivity of Genetically Encoded Fluorescent Potassium Indicators through Structure-Guided and Genome Mining Strategies.
ACS Sens, 7, 2022
2L26
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BU of 2l26 by Molmil
Rv0899 from Mycobacterium tuberculosis contains two separated domains
分子名称: Uncharacterized protein Rv0899/MT0922
著者Shi, C, Li, J, Gao, Y, Wu, K, Huang, H, Tian, C.
登録日2010-08-12
公開日2011-08-17
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Structural Studies of Mycobacterium tuberculosis Rv0899 Reveal a Monomeric Membrane-Anchoring Protein with Two Separate Domains
J.Mol.Biol., 2011

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