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3F1A
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BU of 3f1a by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)benzenesulfonamide
分子名称: CALCIUM ION, Macrophage metalloelastase, N-oxo-2-(phenylsulfonylamino)ethanamide, ...
著者Calderone, V.
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F19
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BU of 3f19 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
分子名称: 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
著者Calderone, V.
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F18
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BU of 3f18 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
分子名称: 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
著者Calderone, V.
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
4JL4
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BU of 4jl4 by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand LJ570 [(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid]
分子名称: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Capelli, D.
登録日2013-03-12
公開日2014-03-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation.
J.Med.Chem., 61, 2018
2GA2
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BU of 2ga2 by Molmil
h-MetAP2 complexed with A193400
分子名称: 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
著者Park, C.
登録日2006-03-07
公開日2007-03-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties.
Bioorg.Med.Chem.Lett., 16, 2006
8F1I
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BU of 8f1i by Molmil
SigN RNA polymerase early-melted intermediate bound to mismatch fragment dhsU36mm1 (-12T)
分子名称: DNA (36-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Mueller, A.U, Chen, J, Darst, S.A.
登録日2022-11-05
公開日2023-04-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A general mechanism for transcription bubble nucleation in bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F1J
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BU of 8f1j by Molmil
SigN RNA polymerase early-melted intermediate bound to mismatch DNA fragment dhsU36mm2 (-12A)
分子名称: DNA (36-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Mueller, A.U, Chen, J, Darst, S.A.
登録日2022-11-05
公開日2023-04-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献A general mechanism for transcription bubble nucleation in bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F1K
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BU of 8f1k by Molmil
SigN RNA polymerase early-melted intermediate bound to full duplex DNA fragment dhsU36 (-12T)
分子名称: DNA (36-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Mueller, A.U, Chen, J, Darst, S.A.
登録日2022-11-05
公開日2023-04-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献A general mechanism for transcription bubble nucleation in bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
3N2V
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BU of 3n2v by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(N-hydroxyethyl)biphenyl-4-ylsulfonamido)acetamide
分子名称: CALCIUM ION, Macrophage metalloelastase, N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide, ...
著者Calderone, V.
登録日2010-05-19
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).
Eur.J.Med.Chem., 45, 2010
3N2U
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BU of 3n2u by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(4-methoxy-N(2-(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)ethyl)phenylsulfonamido)acetamide
分子名称: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide, ...
著者Calderone, V.
登録日2010-05-19
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).
Eur.J.Med.Chem., 45, 2010
2K8J
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BU of 2k8j by Molmil
Solution structure of HCV p7 tm2
分子名称: p7tm2
著者Montserret, R, Penin, F.
登録日2008-09-12
公開日2009-01-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献NMR structure and ion channel activity of the p7 protein from hepatitis C virus.
J.Biol.Chem., 285, 2010
2HU6
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BU of 2hu6 by Molmil
Crystal structure of human MMP-12 in complex with acetohydroxamic acid and a bicyclic inhibitor
分子名称: (1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
著者Mannino, C, Nievo, M, Machetti, F, Papakyriakou, A, Calderone, V, Fragai, M, Guarna, A.
登録日2006-07-26
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors.
Bioorg.Med.Chem., 14, 2006
5T18
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BU of 5t18 by Molmil
Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide
分子名称: 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK
著者Muckelbauer, J.K.
登録日2016-08-18
公開日2017-03-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers.
J. Med. Chem., 59, 2016
2GIW
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BU of 2giw by Molmil
SOLUTION STRUCTURE OF REDUCED HORSE HEART CYTOCHROME C, NMR, 40 STRUCTURES
分子名称: CYTOCHROME C, HEME C
著者Banci, L, Bertini, I, Huber, J.G, Spyroulias, G.A, Turano, P.
登録日1998-06-25
公開日1998-12-09
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution structure of reduced horse heart cytochrome c.
J.Biol.Inorg.Chem., 4, 1999
1JEA
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BU of 1jea by Molmil
ALTERED TOPOLOGY AND FLEXIBILITY IN ENGINEERED SUBTILISIN
分子名称: CALCIUM ION, SUBTILISIN, SULFATE ION
著者Bott, R.
登録日1997-05-20
公開日1997-11-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineered Bacillus lentus subtilisins having altered flexibility.
J.Mol.Biol., 292, 1999
8D14
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BU of 8d14 by Molmil
Helical ADP-Pi-F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D18
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BU of 8d18 by Molmil
Straight ADP-F-actin 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D15
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BU of 8d15 by Molmil
Bent ADP-F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D13
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BU of 8d13 by Molmil
Helical ADP-F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D17
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BU of 8d17 by Molmil
Straight ADP-F-actin 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D16
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BU of 8d16 by Molmil
Bent ADP-Pi-F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
1FXR
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BU of 1fxr by Molmil
CRYSTAL STRUCTURE OF THE FERREDOXIN I FROM DESULFOVIBRIO AFRICANUS AT 2.3 ANGSTROMS RESOLUTION
分子名称: FERREDOXIN I, IRON/SULFUR CLUSTER, SULFATE ION
著者Frey, M, Roth, M.
登録日1994-11-14
公開日1995-01-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the ferredoxin I from Desulfovibrio africanus at 2.3 A resolution.
Biochemistry, 33, 1994
5VLK
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BU of 5vlk by Molmil
Short PCSK9 delta-P' complex with shrunken peptide bearing homo-Arginine
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2 peptide, ACE-TRP-ASN-LEU-VAL-HRG-ILE-GLY-LEU-LEU peptide, CALCIUM ION, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLA
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BU of 5vla by Molmil
Short PCSK9 delta-P' complex with Fusion2 peptide
分子名称: CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-MET-PRO-TRP-ASN-LEU-VAL-ARG-ILE-GLY-LEU-LEU
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLP
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BU of 5vlp by Molmil
PCSK9 complex with LDLR antagonist peptide and Fab7G7
分子名称: Fab7G7 heavy chain, Fab7G7 light chain, LDLR antagonist peptide, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017

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