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5OW9
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Vitamin D receptor complex
分子名称: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Li, W.
登録日2017-08-31
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
5MX7
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1a,20S-dihydroxyvitamin D3 VDR complex
分子名称: 1a,20S-dihydroxyvitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2017-01-21
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献1 alpha,20S-Dihydroxyvitamin D3 Interacts with Vitamin D Receptor: Crystal Structure and Route of Chemical Synthesis.
Sci Rep, 7, 2017
4QPM
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BU of 4qpm by Molmil
Structure of Bub1 kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Lin, Z.H, Jia, L.Y, Tomchick, D.R, Luo, X.L, Yu, H.T.
登録日2014-06-24
公開日2014-10-22
最終更新日2014-12-24
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Substrate-Specific Activation of the Mitotic Kinase Bub1 through Intramolecular Autophosphorylation and Kinetochore Targeting.
Structure, 22, 2014
7C7E
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BU of 7c7e by Molmil
Crystal structure of C terminal domain of Escherichia coli DgoR
分子名称: Putative DNA-binding transcriptional regulator, SULFATE ION, TRIETHYLENE GLYCOL, ...
著者Lin, W.
登録日2020-05-25
公開日2021-01-20
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Structural and Functional Analyses of the Transcription Repressor DgoR From Escherichia coli Reveal a Divalent Metal-Containing D-Galactonate Binding Pocket.
Front Microbiol, 11, 2020
5JJU
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BU of 5jju by Molmil
Crystal structure of Rv2837c complexed with 5'-pApA and 5'-AMP
分子名称: ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, RNA (5'-R(P*AP*A)-3'), ...
著者Wang, F, He, Q, Liu, S, Gu, L.
登録日2016-04-25
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Structural and biochemical insight into the mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP phosphodiesterase
J.Biol.Chem., 291, 2016
1VKL
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RABBIT MUSCLE PHOSPHOGLUCOMUTASE
分子名称: NICKEL (II) ION, PHOSPHOGLUCOMUTASE
著者Ray Junior, W.J, Baranidharan, S, Liu, Y.
登録日1996-07-03
公開日1997-01-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural changes at the metal ion binding site during the phosphoglucomutase reaction.
Biochemistry, 32, 1993
7V2Z
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BU of 7v2z by Molmil
ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ...
著者Lin, M.M, Yang, H.T.
登録日2021-08-10
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10101676 Å)
主引用文献Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis.
Acs Infect Dis., 8, 2022
4F08
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Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
分子名称: 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-05-03
公開日2012-07-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
5FO9
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Crystal Structure of Human Complement C3b in Complex with CR1 (CCP15- 17)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN, ...
著者Forneris, F, Wu, J, Xue, X, Gros, P.
登録日2015-11-18
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
5FO8
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Crystal Structure of Human Complement C3b in Complex with MCP (CCP1-4)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3, ...
著者Forneris, F, Wu, J, Xue, X, Gros, P.
登録日2015-11-18
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
4F09
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Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
分子名称: 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-05-03
公開日2012-07-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
5FO7
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BU of 5fo7 by Molmil
Crystal Structure of Human Complement C3b at 2.8 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN
著者Forneris, F, Wu, J, Xue, X, Gros, P.
登録日2015-11-18
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
7SSM
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BU of 7ssm by Molmil
Crystal structure of human STING R232 in complex with compound 11
分子名称: 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein
著者Sack, J.S, Critton, D.A.
登録日2021-11-11
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
4WXM
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FleQ REC domain from Pseudomonas aeruginosa PAO1
分子名称: Transcriptional regulator FleQ
著者Su, T, Liu, S, Gu, L.
登録日2014-11-14
公開日2015-09-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The REC domain mediated dimerization is critical for FleQ from Pseudomonas aeruginosa to function as a c-di-GMP receptor and flagella gene regulator
J.Struct.Biol., 192, 2015
1LXT
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BU of 1lxt by Molmil
STRUCTURE OF PHOSPHOTRANSFERASE PHOSPHOGLUCOMUTASE FROM RABBIT
分子名称: CADMIUM ION, PHOSPHOGLUCOMUTASE (DEPHOSPHO FORM), SULFATE ION
著者Ray Junior, W.J, Baranidharan, S, Liu, Y.
登録日1996-07-28
公開日1997-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of rabbit muscle phosphoglucomutase refined at 2.4 A resolution.
Acta Crystallogr.,Sect.D, 53, 1997
4ZRI
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BU of 4zri by Molmil
Crystal structure of Merlin-FERM and Lats2
分子名称: Merlin, Serine/threonine-protein kinase LATS2
著者Li, F, Zhou, H, Long, J, Shen, Y.
登録日2015-05-12
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Angiomotin binding-induced activation of Merlin/NF2 in the Hippo pathway
Cell Res., 25, 2015
1B4W
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BU of 1b4w by Molmil
BASIC PHOSPHOLIPASE A2 FROM AGKISTRODON HALYS PALLAS-IMPLICATIONS FOR ITS ASSOCIATION AND ANTICOAGULANT ACTIVITIES BY X-RAY CRYSTALLOGRAPHY
分子名称: PROTEIN (PHOSPHOLIPASE A2), octyl beta-D-glucopyranoside
著者Zhao, K.H, Lin, Z.J.
登録日1998-12-30
公開日2000-01-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of basic phospholipase A2 from Agkistrodon halys Pallas: implications for its association, hemolytic and anticoagulant activities.
Toxicon, 38, 2000
6LPW
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Structure of Spermidine disinapoyl transferases(SDT) from Arabidopsis thaliana
分子名称: SPERMIDINE, Spermidine sinapoyl-CoA acyltransferase
著者Wang, C.Y, Zhang, P.
登録日2020-01-12
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural and Biochemical Insights Into Two BAHD Acyltransferases ( At SHT and At SDT) Involved in Phenolamide Biosynthesis.
Front Plant Sci, 11, 2020
6VZB
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BU of 6vzb by Molmil
Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state
分子名称: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
著者Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
登録日2020-02-28
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
6VZA
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Crystal structure of cytochrome P450 NasF5053 Q65I-A86G mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state
分子名称: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, CHLORIDE ION, ...
著者Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
登録日2020-02-28
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
6VXV
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Crystal structure of cyclo-L-Trp-L-Pro-bound cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053
分子名称: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
登録日2020-02-24
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
6W0S
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BU of 6w0s by Molmil
Crystal structure of substrate free cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053
分子名称: BROMIDE ION, CHLORIDE ION, GLYCEROL, ...
著者Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
登録日2020-03-02
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
5K7K
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Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
分子名称: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE
著者Swain, N, Chrencik, J.
登録日2016-05-26
公開日2017-06-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7.
J. Med. Chem., 60, 2017
6UM8
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HIV Integrase in complex with Compound-14
分子名称: (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, DI(HYDROXYETHYL)ETHER, Integrase, ...
著者Khan, J.A, Kish, K.
登録日2019-10-09
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors.
J.Med.Chem., 63, 2020
6TYY
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Hedgehog autoprocessing mutant D46H
分子名称: Protein hedgehog
著者Li, H, Li, Z, Wang, C, Callahan, B.P.
登録日2019-08-09
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing.
J.Am.Chem.Soc., 141, 2019

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