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1T8M
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CRYSTAL STRUCTURE OF THE P1 HIS BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
分子名称: Chymotrypsin A, Pancreatic trypsin inhibitor, SULFATE ION
著者Czapinska, H, Helland, R, Otlewski, J, Smalas, A.O.
登録日2004-05-13
公開日2005-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of five bovine chymotrypsin complexes with P1 BPTI variants.
J.Mol.Biol., 344, 2004
4F2N
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Crystal structure of iron superoxide dismutase from Leishmania major
分子名称: FE (II) ION, Superoxide dismutase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-08
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures.
Acta Crystallogr F Struct Biol Commun, 71, 2015
2QMK
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BU of 2qmk by Molmil
Human pancreatic alpha-amylase complexed with nitrite
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NITRITE ION, ...
著者Williams, L.K, Maurus, R, Brayer, G.D.
登録日2007-07-16
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
1T7C
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CRYSTAL STRUCTURE OF THE P1 GLU BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
分子名称: Chymotrypsin A, Pancreatic trypsin inhibitor, SULFATE ION
著者Czapinska, H, Helland, R, Otlewski, J, Smalas, A.O.
登録日2004-05-09
公開日2005-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of five bovine chymotrypsin complexes with P1 BPTI variants.
J.Mol.Biol., 344, 2004
1EAT
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BU of 1eat by Molmil
NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES
分子名称: 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ...
著者Ceccarelli, C.
登録日1994-11-22
公開日1995-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nonpeptidic inhibitors of human leukocyte elastase. 5. Design, synthesis, and X-ray crystallography of a series of orally active 5-aminopyrimidin-6-one-containing trifluoromethyl ketones.
J.Med.Chem., 38, 1995
2LL8
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Solution NMR structure of the specialized holo-acyl carrier protein RPA2022 from Rhodopseudomonas palustris refined with NH RDCs, Northeast Structural Genomics Consortium Target RpR324
分子名称: 4'-PHOSPHOPANTETHEINE, Specialized acyl carrier protein
著者Ramelot, T.A, Ni, S, Rossi, P, Yang, Y, Wang, H, Ciccosanti, C, Maglaqui, M, Janjua, H, Nair, R, Roset, B, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2011-10-31
公開日2011-11-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long-chain fatty acids in open and closed conformations.
Biochemistry, 51, 2012
6LOO
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BU of 6loo by Molmil
Crystal Structure of Class IB terpene synthase bound with geranylcitronellyl diphosphate
分子名称: Tetraprenyl-beta-curcumene synthase, phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate, phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
著者Fujihashi, M, Inagi, H, Miki, K.
登録日2020-01-07
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Characterization of Class IB Terpene Synthase: The First Crystal Structure Bound with a Substrate Surrogate.
Acs Chem.Biol., 15, 2020
6XB9
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Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with 3-hydroxypropionic acid
分子名称: 3-HYDROXY-PROPANOIC ACID, CHLORIDE ION, Cysteine dioxygenase type I protein, ...
著者Kiser, P.D, Khadka, N, Shi, W, Pierce, B.S.
登録日2020-06-05
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
6S6K
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Crystal Structure of BRD4(1) bound to inhibitor BUX2 (9)
分子名称: (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-07-03
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
2J6Z
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Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis
分子名称: PHOSPHOSERINE PHOSPHATASE RSBU
著者Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J.
登録日2006-10-05
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis.
J. Biol. Chem., 282, 2007
2J70
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Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis
分子名称: PHOSPHOSERINE PHOSPHATASE RSBU
著者Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J.
登録日2006-10-05
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis.
J. Biol. Chem., 282, 2007
7PHS
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BU of 7phs by Molmil
highly potent IL6 antagonistic antibody selected from a camelid immune phage display repertoire
分子名称: Heavy chain of Fab129D3, Light chain of Fab129D3
著者Cambillau, C, Pannecoucke, E, De Haard, H.
登録日2021-08-18
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Non-promiscuous pairing in a highly potent IL6 antagonistic antibody selected from a camelid immune phage display repertoire
To Be Published
4I31
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Crystal structure of HCV NS3/NS4A protease complexed with compound 4
分子名称: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
著者Lemke, C.T.
登録日2012-11-23
公開日2013-01-02
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (1.9301 Å)
主引用文献Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
7PP4
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Cryo-EM structure of Mycobacterium tuberculosis RNA polymerase holoenzyme comprising sigma factor SigB
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Brodolin, K.
登録日2021-09-13
公開日2022-09-21
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Structural basis of the mycobacterial stress-response RNA polymerase auto-inhibition via oligomerization
Nat Commun, 14, 2023
6V03
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ELIC-propylammonium complex in POPC-only nanodiscs
分子名称: 3-AMINOPROPANE, Gamma-aminobutyric-acid receptor subunit beta-1
著者Grosman, C, Kumar, P.
登録日2019-11-18
公開日2020-01-15
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer.
Proc.Natl.Acad.Sci.USA, 117, 2020
7Q59
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BU of 7q59 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis RNA polymerase holoenzyme dimer comprising sigma factor SigB
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Brodolin, K.
登録日2021-11-03
公開日2022-11-16
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.36 Å)
主引用文献Structural basis of the mycobacterial stress-response RNA polymerase auto-inhibition via oligomerization
Nat Commun, 14, 2023
3QV7
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Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with ponceau S and acid blue 25.
分子名称: 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid, POTASSIUM ION, ...
著者Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2011-02-25
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
3QV6
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Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with acid blue 80.
分子名称: 3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid, PHOSPHATE ION, POTASSIUM ION, ...
著者Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2011-02-25
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
3QV8
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Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with benzothiazole-2,5-disulfonic acid.
分子名称: 1,3-benzothiazole-2,5-disulfonic acid, PHOSPHATE ION, Pyruvate kinase
著者Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2011-02-25
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
6PCQ
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E. coli 50S ribosome bound to VM2
分子名称: (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-18
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PC6
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E. coli 50S ribosome bound to compound 47
分子名称: (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-16
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
2J6Y
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Structural and Functional Characterisation of partner switching regulating the environmental stress response in Bacillus subtilis
分子名称: PHOSPHOSERINE PHOSPHATASE RSBU
著者Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J.
登録日2006-10-05
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis.
J. Biol. Chem., 282, 2007
8ABT
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Crystal structure of NaLdpA in complex with the product analog Resveratrol
分子名称: RESVERATROL, SULFATE ION, SnoaL-like domain-containing protein
著者Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E.
登録日2022-07-04
公開日2023-02-01
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
6PCH
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E. coli 50S ribosome bound to compound 21
分子名称: (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-17
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6VQL
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CRYSTAL STRUCTURE OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4-WT) COMPLEX WITH A NICOTINAMIDE INHIBITOR
分子名称: 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Sack, J.S.
登録日2020-02-05
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020

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