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PDB: 89111 件

1AUC
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HUMAN THIOREDOXIN (OXIDIZED WITH DIAMIDE)
分子名称: THIOREDOXIN
著者Anderson, J.F, Sanders, D.A.R, Gasdaska, J, Weichsel, A, Powis, G, Montfort, W.R.
登録日1997-08-22
公開日1998-02-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human thioredoxin homodimers: regulation by pH, role of aspartate 60, and crystal structure of the aspartate 60 --> asparagine mutant.
Biochemistry, 36, 1997
7Z14
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Cryo-EM structure of Torpedo nicotinic acetylcholine receptor in complex with a short-chain neurotoxin.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine receptor subunit alpha, ...
著者Nys, M.A.E.M, Zarkadas, E, Ulens, C, Nury, H.
登録日2022-02-24
公開日2022-08-17
最終更新日2022-08-24
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献The molecular mechanism of snake short-chain alpha-neurotoxin binding to muscle-type nicotinic acetylcholine receptors.
Nat Commun, 13, 2022
6COM
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2.3A crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Asp269Asn
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
著者Sokaribo, A.S, Cotelesage, J.H, Novakovski, B, Goldie, H, Sanders, D.
登録日2018-03-12
公開日2018-04-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants.
Biochim Biophys Acta Gen Subj, 1864, 2020
6CPG
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Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation
分子名称: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Aurora kinase A, Monobody
著者Otten, R, Kutter, S, Zorba, A, Padua, R.A.P, Koide, A, Koide, S, Kern, D.
登録日2018-03-13
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
6ES0
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Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35
分子名称: 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid, Receptor-interacting serine/threonine-protein kinase 2
著者Pinkas, D.M, Bufton, J.C, Suebsuwong, C, Ray, S.S, Dai, B, Newman, J.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Degterev, A, Cuny, G.D, Bullock, A.N.
登録日2017-10-19
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
1AZY
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STRUCTURAL AND THEORETICAL STUDIES SUGGEST DOMAIN MOVEMENT PRODUCES AN ACTIVE CONFORMATION OF THYMIDINE PHOSPHORYLASE
分子名称: THYMIDINE PHOSPHORYLASE
著者Pugmire, M.J, Cook, W.J, Jasanoff, A, Walter, M.R, Ealick, S.E.
登録日1997-11-24
公開日1999-01-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and theoretical studies suggest domain movement produces an active conformation of thymidine phosphorylase.
J.Mol.Biol., 281, 1998
4WY3
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Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor
分子名称: (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase
著者Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2014-11-15
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors.
Bioorg.Med.Chem., 23, 2015
1B3Y
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XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOTETRAOSE
分子名称: PROTEIN (XYLANASE), alpha-D-xylopyranose, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Schmidt, A, Kratky, C.
登録日1998-12-15
公開日1999-04-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Xylan binding subsite mapping in the xylanase from Penicillium simplicissimum using xylooligosaccharides as cryo-protectant.
Biochemistry, 38, 1999
6GDH
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Holliday Junctions formed from Telomeric DNA
分子名称: DNA (5'-D(*CP*TP*AP*AP*CP*CP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3')
著者Parkinson, G.N, Haider, S, Li, P, Khiali, S, Munnur, D, Ramanathan, A.
登録日2018-04-23
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Holliday Junctions Formed from Human Telomeric DNA.
J. Am. Chem. Soc., 140, 2018
1B4Y
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STRUCTURE AND MECHANISM OF FORMATION OF THE H-Y5 ISOMER OF AN INTRAMOLECULAR DNA TRIPLE HELIX.
分子名称: DNA (H-Y5 TRIPLE HELIX)
著者Van Dongen, M.J.P, Doreleijers, J.F, Van Der Marel, G.A, Van Boom, J.H, Hilbers, C.W, Wijmenga, S.S.
登録日1998-12-30
公開日1999-09-13
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structure and mechanism of formation of the H-y5 isomer of an intramolecular DNA triple helix.
Nat.Struct.Biol., 6, 1999
4Z71
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Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with Mg ions
分子名称: Inorganic pyrophosphatase, MAGNESIUM ION
著者Pratt, A.C, Biswas, T, Tsodikov, O.V.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and computational dissection of the catalytic mechanism of the inorganic pyrophosphatase from Mycobacterium tuberculosis.
J.Struct.Biol., 192, 2015
6CQ2
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Crystal structure of Mycobacterium tuberculosis Topoisomerase I in complex with oligonucleotide MTS2-12 and Magnesium
分子名称: DNA (5'-D(P*TP*TP*CP*CP*GP*CP*TP*TP*GP*A)-3'), DNA topoisomerase 1, MAGNESIUM ION, ...
著者Cao, N, Thirunavukkaraus, A, Tan, K, Tse-Dinh, Y.-C.
登録日2018-03-14
公開日2018-05-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Investigating mycobacterial topoisomerase I mechanism from the analysis of metal and DNA substrate interactions at the active site.
Nucleic Acids Res., 46, 2018
6TIP
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BU of 6tip by Molmil
Engineered streptavidin variant (YNAFM) in complex with the Strep-tag II peptide
分子名称: AMINO GROUP, Strep-tag II peptide, Streptavidin
著者Skerra, A, Eichinger, A.
登録日2019-11-22
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
6GCJ
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BU of 6gcj by Molmil
Solution structure of the RodA hydrophobin from Aspergillus fumigatus
分子名称: Hydrophobin
著者Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I.
登録日2018-04-18
公開日2019-03-27
最終更新日2019-09-04
実験手法SOLUTION NMR
主引用文献Assembly and disassembly of Aspergillus fumigatus conidial rodlets
Cell Surf, 2019
7YXC
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Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
分子名称: Ancestral Glucocorticoid Receptor2, CARBONATE ION, DEXAMETHASONE, ...
著者Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
登録日2022-02-15
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
1B3Q
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CRYSTAL STRUCTURE OF CHEA-289, A SIGNAL TRANSDUCING HISTIDINE KINASE
分子名称: MERCURY (II) ION, PROTEIN (CHEMOTAXIS PROTEIN CHEA)
著者Bilwes, A.M, Alex, L.A, Crane, B.R, Simon, M.I.
登録日1998-12-14
公開日1999-12-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of CheA, a signal-transducing histidine kinase.
Cell(Cambridge,Mass.), 96, 1999
7YXD
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BU of 7yxd by Molmil
Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
分子名称: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, SHP NR Box 1 Peptide, ...
著者Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
登録日2022-02-15
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
5LCT
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Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.615 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
4ZEE
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X-ray structure of the bis-platinum lysozyme adduct formed in the reaction between the protein and the two drugs Cisplatin and Oxaliplatin (preparation 2)
分子名称: 1,2-ETHANEDIOL, CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Cisplatin, ...
著者Merlino, A.
登録日2015-04-20
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Oxaliplatin vs. cisplatin: competition experiments on their binding to lysozyme.
Dalton Trans, 44, 2015
6B7K
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GH43 Endo-Arabinanase from Bacillus licheniformis
分子名称: CALCIUM ION, Endo-alpha-(1->5)-L-arabinanase
著者Farro, E.G.S, Nascimento, A.S.
登録日2017-10-04
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献GH43 endo-arabinanase from Bacillus licheniformis: Structure, activity and unexpected synergistic effect on cellulose enzymatic hydrolysis.
Int. J. Biol. Macromol., 117, 2018
7KRE
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Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((6-cyanonaphthalen-1-yl)oxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ704)
分子名称: 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.728 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
6TAB
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Bd0314 DslA wild-type form 2
分子名称: SLT domain-containing protein, SULFATE ION
著者Lovering, A.L, Harding, C.J.
登録日2019-10-29
公開日2020-07-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献A lysozyme with altered substrate specificity facilitates prey cell exit by the periplasmic predator Bdellovibrio bacteriovorus.
Nat Commun, 11, 2020
6TLQ
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ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand Glenmark
分子名称: 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, CHOLESTEROL, GLYCEROL, ...
著者de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2019-12-03
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
5LCU
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Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
4YYF
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The crystal structure of a glycosyl hydrolase of GH3 family member from [Mycobacterium smegmatis str. MC2 155
分子名称: ACETATE ION, Beta-N-acetylhexosaminidase, FORMIC ACID, ...
著者Tan, K, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-03-23
公開日2015-04-08
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The crystal structure of a glycosyl hydrolase of GH3 family member from [Mycobacterium smegmatis str. MC2 155
To Be Published

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