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1HT2
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BU of 1ht2 by Molmil
Nucleotide-Dependent Conformational Changes in a Protease-Associated ATPase HslU
分子名称: ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK LOCUS HSLU, HEAT SHOCK LOCUS HSLV
著者Wang, J, Song, J.J, Seong, I.S, Franklin, M.C, Kamtekar, S, Eom, S.H, Chung, C.H.
登録日2000-12-27
公開日2001-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nucleotide-dependent conformational changes in a protease-associated ATPase HsIU.
Structure, 9, 2001
2ORS
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BU of 2ors by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex
分子名称: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
5J94
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BU of 5j94 by Molmil
Human cathepsin K mutant C25S in complex with the allosteric effector NSC13345
分子名称: 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid, Cathepsin K, SULFATE ION
著者Novinec, M, Korenc, M, Lenarcic, B, Baici, A.
登録日2016-04-08
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22002459 Å)
主引用文献A novel allosteric mechanism in the cysteine peptidase cathepsin K discovered by computational methods.
Nat Commun, 5, 2014
5XWA
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BU of 5xwa by Molmil
Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 10
分子名称: Acetylated-Pro-Arg-Tyr Inhibitor, CALCIUM ION, Trypsin
著者Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A.
登録日2017-06-29
公開日2018-03-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera.
Insect Biochem. Mol. Biol., 95, 2018
5XW9
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BU of 5xw9 by Molmil
Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 7
分子名称: Acetylated-Pro-Arg-Tyr Inhibitor, CALCIUM ION, Trypsin
著者Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A.
登録日2017-06-29
公開日2018-03-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera.
Insect Biochem. Mol. Biol., 95, 2018
2Q2O
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BU of 2q2o by Molmil
Crystal structure of H183C Bacillus subtilis ferrochelatase in complex with deuteroporphyrin IX 2,4-disulfonic acid dihydrochloride
分子名称: Ferrochelatase, MAGNESIUM ION, PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
著者Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
登録日2007-05-29
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008
2Q3J
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BU of 2q3j by Molmil
Crystal structure of the His183Ala variant of Bacillus subtilis ferrochelatase in complex with N-Methyl Mesoporphyrin
分子名称: Ferrochelatase, MAGNESIUM ION, N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
著者Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
登録日2007-05-30
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008
4C57
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BU of 4c57 by Molmil
Structure of GAK kinase in complex with a nanobody
分子名称: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, 1,2-ETHANEDIOL, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Keates, T, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
登録日2013-09-10
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies.
Biochem.J., 459, 2014
7Y42
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BU of 7y42 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein in complex with all-trans retinoic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, RETINOIC ACID, Spike glycoprotein
著者Xiang, Y, Wang, L.
登録日2022-06-13
公開日2022-07-06
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献A Retinol Derivative Inhibits SARS-CoV-2 Infection by Interrupting Spike-Mediated Cellular Entry.
Mbio, 13, 2022
5XWJ
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BU of 5xwj by Molmil
Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-THR-ARG-GLU Inhibitor, CALCIUM ION, ...
著者Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A.
登録日2017-06-29
公開日2018-03-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera.
Insect Biochem. Mol. Biol., 95, 2018
1QB9
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BU of 1qb9 by Molmil
BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL] METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK-806450) COMPLEX
分子名称: 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, POTASSIUM ION, ...
著者Whitlow, M.
登録日1999-04-30
公開日2000-04-30
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
5WDP
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BU of 5wdp by Molmil
H-Ras mutant L120A bound to GMP-PNP at 277K
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
4AMX
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BU of 4amx by Molmil
CRYSTAL STRUCTURE OF THE GRACILARIOPSIS LEMANEIFORMIS ALPHA-1,4- GLUCAN LYASE Covalent Intermediate Complex with 5-fluoro-glucosyl- fluoride
分子名称: 5-fluoro-beta-D-glucopyranose, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, GLYCEROL, ...
著者Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
登録日2012-03-14
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
5XWL
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BU of 5xwl by Molmil
Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 10
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-THR-ARG-GLU Inhibitor, CALCIUM ION, ...
著者Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A.
登録日2017-06-29
公開日2018-03-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera.
Insect Biochem. Mol. Biol., 95, 2018
1HT1
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BU of 1ht1 by Molmil
Nucleotide-Dependent Conformational Changes in a Protease-Associated ATPase HslU
分子名称: ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK LOCUS HSLU, HEAT SHOCK LOCUS HSLV
著者Wang, J, Song, J.J, Seong, I.S, Franklin, M.C, Kamtekar, S, Eom, S.H, Chung, C.H.
登録日2000-12-27
公開日2001-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nucleotide-dependent conformational changes in a protease-associated ATPase HsIU.
Structure, 9, 2001
3CXC
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BU of 3cxc by Molmil
The structure of an enhanced oxazolidinone inhibitor bound to the 50S ribosomal subunit of H. marismortui
分子名称: (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide, 23S RIBOSOMAL RNA, 5'-R(*CP*CP*A)-3', ...
著者Ippolito, J.A, Wang, D, Kanyo, Z.F, Duffy, E.M.
登録日2008-04-24
公開日2009-04-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics.
Bioorg.Med.Chem.Lett., 18, 2008
7WQP
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BU of 7wqp by Molmil
Adeno-associated virus serotype PHP.eB in complex with AAVR
分子名称: Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein
著者Xu, G, Lou, Z.
登録日2022-01-25
公開日2022-06-15
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structural basis for the neurotropic AAV9 and the engineered AAVPHP.eB recognition with cellular receptors.
Mol Ther Methods Clin Dev, 26, 2022
5XW1
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BU of 5xw1 by Molmil
Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH10
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-Pro-Arg-Asn Inhibitor, CALCIUM ION, ...
著者Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A.
登録日2017-06-28
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Reactive centre loop peptides devoid of potato protease inhibitor-II protein scaffold inhibit serine proteases
To Be Published
5XW8
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BU of 5xw8 by Molmil
Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH 7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-Pro-Arg-Asn Inhibitor, CALCIUM ION, ...
著者Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A.
登録日2017-06-29
公開日2018-03-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera.
Insect Biochem. Mol. Biol., 95, 2018
6HPI
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BU of 6hpi by Molmil
NMR structure of the pro-inflammatory cytokine interleukin-36alpha
分子名称: Interleukin-36 alpha
著者Ohlenschlaeger, O, Imhof, D.
登録日2018-09-21
公開日2019-10-02
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献(1)H, (13)C, and (15)N resonance assignments for the pro-inflammatory cytokine interleukin-36alpha.
Biomol NMR Assign, 10, 2016
1NAQ
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BU of 1naq by Molmil
Crystal structure of CUTA1 from E.coli at 1.7 A resolution
分子名称: MERCURIBENZOIC ACID, MERCURY (II) ION, Periplasmic divalent cation tolerance protein cutA
著者Calderone, V, Mangani, S, Benvenuti, M, Viezzoli, M.S, Banci, L, Bertini, I, Structural Proteomics in Europe (SPINE)
登録日2002-11-28
公開日2003-11-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The evolutionarily conserved trimeric structure of CutA1 proteins suggests a role in signal transduction.
J.Biol.Chem., 278, 2003
5UP1
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BU of 5up1 by Molmil
Solution structure of the de novo mini protein EEHEE_rd3_1049
分子名称: EEHEE_rd3_1049
著者Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H.
登録日2017-02-01
公開日2017-07-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
2ORQ
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BU of 2orq by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex
分子名称: 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
5WDQ
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H-Ras mutant L120A bound to GMP-PNP at 100K
分子名称: ACETATE ION, CALCIUM ION, GTPase HRas, ...
著者Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
3NWW
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BU of 3nww by Molmil
P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor
分子名称: 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-07-12
公開日2010-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010

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