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3J03
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BU of 3j03 by Molmil
Lidless Mm-cpn in the closed state with ATP/AlFx
分子名称: Lidless Mm-cpn
著者Zhang, J, Ma, B, DiMaio, F, Douglas, N.R, Joachimiak, L, Baker, D, Frydman, J, Levitt, M, Chiu, W.
登録日2011-02-10
公開日2011-05-18
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Cryo-EM structure of a group II chaperonin in the prehydrolysis ATP-bound state leading to lid closure.
Structure, 19, 2011
5NTI
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BU of 5nti by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
分子名称: ASN-SER-HIS-GLN-LYS-VAL-THR-LEU-LEU-GLN-LEU-LEU-LEU-GLY-HIS-LYS-ASN-GLU-GLU-ASN, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Nuclear receptor ROR-gamma
著者Kallen, J.
登録日2017-04-28
公開日2017-06-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
5NTN
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Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
分子名称: (5R,10S,13R,14R,17R)-17-((R,E)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,7(4H)-dione, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
著者Kallen, J.
登録日2017-04-28
公開日2017-06-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
7OWF
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BU of 7owf by Molmil
KlenTaq DNA polymerase in a ternary complex with primer/template and the fluorescent nucleotide analog BFdUTP
分子名称: DNA polymerase I, thermostable, GLYCEROL, ...
著者Betz, K, Srivatsan, S.G.
登録日2021-06-18
公開日2022-06-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Microenvironment-Sensitive Fluorescent Nucleotide Probes from Benzofuran, Benzothiophene, and Selenophene as Substrates for DNA Polymerases.
J.Am.Chem.Soc., 144, 2022
1PPG
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BU of 1ppg by Molmil
The refined 2.3 angstroms crystal structure of human leukocyte elastase in a complex with a valine chloromethyl ketone inhibitor
分子名称: HUMAN LEUKOCYTE ELASTASE, MEO-SUCCINYL-ALA-ALA-PRO-VAL CHLOROMETHYLKETONE, alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bode, W, Wei, A-Z.
登録日1991-10-24
公開日1994-01-31
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The refined 2.3 A crystal structure of human leukocyte elastase in a complex with a valine chloromethyl ketone inhibitor.
FEBS Lett., 234, 1988
8HI9
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BU of 8hi9 by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with Robinetin
分子名称: 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, 3C-like proteinase nsp5
著者Su, H.X, Xie, H, Li, M.J, Xu, Y.C.
登録日2022-11-19
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of Polyphenolic Natural Products as SARS-CoV-2 M pro Inhibitors for COVID-19.
Pharmaceuticals, 16, 2023
6WAR
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BU of 6war by Molmil
Crystal structure of the MERS-CoV RBD bound by the neutralizing single-domain antibody MERS VHH-55
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein, nanobody MERS VHH-55
著者Wrapp, D, Torres, G.M, McLellan, J.S.
登録日2020-03-25
公開日2020-04-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural Basis for Potent Neutralization of Betacoronaviruses by Single-Domain Camelid Antibodies.
Cell, 181, 2020
6WBS
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BU of 6wbs by Molmil
Human CFTR first nucleotide binding domain with dF508/V510D
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D.
登録日2020-03-27
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.857 Å)
主引用文献Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published
6WAQ
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BU of 6waq by Molmil
Crystal structure of the SARS-CoV-1 RBD bound by the cross-reactive single-domain antibody SARS VHH-72
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, nanobody SARS VHH-72
著者Wrapp, D, McLellan, J.S.
登録日2020-03-25
公開日2020-04-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Potent Neutralization of Betacoronaviruses by Single-Domain Camelid Antibodies.
Cell, 181, 2020
2VPA
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BU of 2vpa by Molmil
High resolution crystal structure of the antibiotic resistance protein NimA from Deinococcus radiodurans
分子名称: ACETATE ION, NIMA-RELATED PROTEIN, PYRUVIC ACID
著者Leiros, H.-K.S, Tedesco, C, McSweeney, S.M.
登録日2008-02-27
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High-Resolution Structure of the Antibiotic Resistance Protein Nima from Deinococcus Radiodurans.
Acta Crystallogr.,Sect.F, 64, 2008
1MCV
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BU of 1mcv by Molmil
Crystal Structure Analysis of a Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase
分子名称: CALCIUM ION, Elastase 1, HEI-TOE I, ...
著者Ay, J, Hilpert, K, Krauss, N, Schneider-Mergener, J, Hoehne, W.
登録日2002-08-06
公開日2003-02-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a hybrid squash inhibitor in complex with porcine pancreatic elastase at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
2X1K
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BU of 2x1k by Molmil
H71S mutant of the antibiotic resistance protein NimA from Deinococcus radiodurans
分子名称: ACETATE ION, NIMA-RELATED PROTEIN
著者Leiros, H.S, Brandsdal, B.O, McSweeney, S.M.
登録日2010-01-07
公開日2010-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Biophysical Characterization and Mutational Analysis of the Antibiotic Resistance Protein Nima from Deinococcus Radiodurans.
Biochim.Biophys.Acta, 1804, 2010
7Z94
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BU of 7z94 by Molmil
Crystal structure of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with indole
分子名称: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, INDOLE, ...
著者Kratky, J, Weisse, R, Strater, N.
登録日2022-03-19
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7Z4X
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BU of 7z4x by Molmil
Crystal structure of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with FAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein)
著者Kratky, J, Weisse, R, Strater, N.
登録日2022-03-06
公開日2023-02-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7Z98
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Crystal structure of F191M variant Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfide
分子名称: (methylsulfanyl)benzene, 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kratky, J, Weisse, R, Strater, N.
登録日2022-03-20
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7Z99
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Crystal structure of F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfoxide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), [(S)-methylsulfinyl]benzene
著者Kratky, J, Weisse, R, Strater, N.
登録日2022-03-20
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7ZCA
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BU of 7zca by Molmil
Crystal structure of the F191M/F201A variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with benzyl phenyl sulfoxide
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), ...
著者Kratky, J, Weisse, R, Strater, N.
登録日2022-03-26
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7Z97
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Crystal structure of the F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with 6-bromoindole
分子名称: 1,2-ETHANEDIOL, 6-bromo-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kratky, J, Weisse, R, Strater, N.
登録日2022-03-20
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
6FPF
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Structure of the Ustilago maydis chorismate mutase 1
分子名称: Chromosome 16, whole genome shotgun sequence, MANGANESE (II) ION
著者Altegoer, F, Steinchen, W, Bange, G.
登録日2018-02-09
公開日2019-01-16
最終更新日2019-02-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
6FPG
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BU of 6fpg by Molmil
Structure of the Ustilago maydis chorismate mutase 1 in complex with a Zea mays kiwellin
分子名称: CITRIC ACID, Chromosome 16, whole genome shotgun sequence, ...
著者Altegoer, F, Steinchen, W, Bange, G.
登録日2018-02-09
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
5MU3
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BU of 5mu3 by Molmil
Crystal structure of Ctf19-Mcm21 kinetochore assembly bound with Ctf19-Mcm21 binding motif of central kinetochore subunit Okp1
分子名称: Central kinetochore subunit CTF19, Central kinetochore subunit MCM21, Central kinetochore subunit Okp1
著者Schmitzberger, F.
登録日2017-01-12
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis for inner kinetochore configuration through RWD domain-peptide interactions.
EMBO J., 36, 2017
5N9B
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BU of 5n9b by Molmil
Crystal Structure of unliganded human IL-17RA
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A
著者Rondeau, J.-M, Goepfert, A.
登録日2017-02-24
公開日2018-06-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献IL-17-induced dimerization of IL-17RA drives the formation of the IL-17 signalosome to potentiate signaling.
Cell Rep, 41, 2022
5NAN
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BU of 5nan by Molmil
Crystal Structure of human IL-17AF in complex with human IL-17RA
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ...
著者Rondeau, J.-M, Goepfert, A.
登録日2017-02-28
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties.
Sci Rep, 7, 2017
7ZAN
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BU of 7zan by Molmil
Crystal Structure of human IL-17A in complex with IL-17RA and IL-17RC
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, Interleukin-17A, ...
著者Rondeau, J.M, Goepfert, A.
登録日2022-03-22
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (5.061 Å)
主引用文献IL-17-induced dimerization of IL-17RA drives the formation of the IL-17 signalosome to potentiate signaling.
Cell Rep, 41, 2022
5NR6
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BU of 5nr6 by Molmil
NMR structure and 1H, 13C and 15N signal assignments for Dictyostelium discoidans MATB protein S71A mutant
分子名称: MatB protein
著者Neuhaus, D, Hedgethorne, K, Yang, J.-C.
登録日2017-04-22
公開日2017-09-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Homeodomain-like DNA binding proteins control the haploid-to-diploid transition in Dictyostelium.
Sci Adv, 3, 2017

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