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PDB: 88675 件

8HVP
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STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR
分子名称: HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E)
著者Jaskolski, M, Miller, M, Tomasselli, A.G, Sawyer, T.K, Staples, D.G, Heinrikson, R.L, Schneider, J, Kent, S.B.H, Wlodawer, A.
登録日1990-10-26
公開日1993-10-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor.
Biochemistry, 30, 1991
7QXL
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BAZ2A bromodomain in complex with acetylpyrrole derivative compound 77
分子名称: 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A
著者Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
登録日2022-01-26
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
6NAJ
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Integrin AlphaVBeta3 ectodomain bound to Hr10 variant of the 10th domain of Fibronectin.
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, Fibronectin, ...
著者van Agthoven, J, Arnaout, M.A.
登録日2018-12-05
公開日2019-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-guided design of pure orthosteric inhibitors of alpha IIb beta 3 that prevent thrombosis but preserve hemostasis.
Nat Commun, 11, 2020
6VU4
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Structure of a beta-hairpin peptide mimic derived from Abeta 14-36
分子名称: Beta-hairpin Amyloid-beta precursor peptide mimic, CHLORIDE ION, IODIDE ION
著者Wierzbicki, M, Kreutzer, A, Samdin, T, Nowick, J.S.
登録日2020-02-14
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.077 Å)
主引用文献Effects of N-Terminal Residues on the Assembly of Constrained beta-Hairpin Peptides Derived from A beta.
J.Am.Chem.Soc., 142, 2020
8DB1
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Crystal structure of native DMATS1 prenyltransferase
分子名称: Dimethylallyltryptophan synthase 1, TRYPTOPHAN
著者Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W.
登録日2022-06-14
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi .
Biochemistry, 61, 2022
6WES
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Crystal structure of the effector SnTox3 from Parastagonospora nodorum
分子名称: Tox3
著者Outram, M.A, Williams, S.J, Ericsson, D.J, Kobe, B, Solomon, P.S.
登録日2020-04-02
公開日2020-11-04
最終更新日2021-09-01
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The crystal structure of SnTox3 from the necrotrophic fungus Parastagonospora nodorum reveals a unique effector fold and provides insight into Snn3 recognition and pro-domain protease processing of fungal effectors.
New Phytol., 231, 2021
6VV7
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Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136
分子名称: 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M.
登録日2020-02-17
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VVZ
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Mycobacterium tuberculosis RNAP S456L mutant transcription initiation intermediate structure with Sorangicin
分子名称: DNA (62-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Q0W
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Structure of DDB1-DDA1-DCAF15 complex bound to Indisulam and RBM39
分子名称: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
著者Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S.
登録日2019-08-02
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
6WGM
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Crystal structure of a marine metagenome TRAP solute binding protein specific for pyroglutamate (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, scf7180008839099) in complex with co-purified pyroglutamate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
著者Fedorov, E, Vetting, M.W, Hogle, S.L, Dupont, C.L, Almo, S.C, Ghosh, A.
登録日2020-04-05
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, GOS_140), in complex with co-purified pyroglutamate
To Be Published
7QGT
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Crystal structure of human cystathionine beta-synthase (delta516-525) in complex with AOAA.
分子名称: 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hutchin, A, Kopec, J, Majtan, T, Zuhra, K, Szabo, C.
登録日2021-12-10
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.691 Å)
主引用文献H 2 S biogenesis by cystathionine beta-synthase: mechanism of inhibition by aminooxyacetic acid and unexpected role of serine.
Cell.Mol.Life Sci., 79, 2022
6PSU
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Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi2) with TraR and rpsT P2 promoter
分子名称: CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
登録日2019-07-13
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Stepwise Promoter Melting by Bacterial RNA Polymerase.
Mol.Cell, 78, 2020
7OB7
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CPR-C4 - novel protease from the Candidate Phyla Radiation (CPR)
分子名称: CPR-C4
著者Cornish, K.A.S, Pohl, E.
登録日2021-04-21
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.682 Å)
主引用文献CPR-C4 is a highly conserved novel protease from the Candidate Phyla Radiation with remote structural homology to human vasohibins.
J.Biol.Chem., 298, 2022
6WIC
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Pre-catalytic quaternary complex of human Polymerase Mu on a complementary DNA double-strand break substrate
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kaminski, A.M, Kunkel, T.A, Pedersen, L.C, Bebenek, K.
登録日2020-04-09
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural snapshots of human DNA polymerase mu engaged on a DNA double-strand break.
Nat Commun, 11, 2020
5N2W
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WT-Parkin and pUB complex
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, ...
著者Kumar, A, Chaugule, V.K, Johnson, C, Toth, R, Sundaramoorthy, R, Knebel, A, Walden, H.
登録日2017-02-08
公開日2017-04-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Parkin-phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity.
Nat. Struct. Mol. Biol., 24, 2017
6NRU
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Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CobC, ...
著者Kim, Y, Gu, M, Shatsman, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-24
公開日2019-03-06
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.505 Å)
主引用文献Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri
To Be Published
8PVA
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Structure of bacterial ribosome determined by cryoEM at 100 keV
分子名称: 16S rRNA, 23S rRNA, 50S ribosomal protein L14, ...
著者McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J.
登録日2023-07-17
公開日2023-11-29
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structure determination by cryoEM at 100 keV.
Proc.Natl.Acad.Sci.USA, 120, 2023
6PXI
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The crystal structure of a singly capped HslUV complex with an axial pore plug and a HslU E257Q mutation
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV, ...
著者Baytshtok, V, Grant, R.A, Sauer, R.T.
登録日2019-07-26
公開日2020-07-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.447 Å)
主引用文献Heat activates the AAA+ HslUV protease by melting an axial autoinhibitory plug.
Cell Rep, 34, 2021
6VO3
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AMC009 SOSIP.v4.2 in complex with PGV04 Fab
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, AMC009 SOSIP.v4.2 envelope glycoprotein gp120, ...
著者Cottrell, C.A, de Val, N, Ward, A.B.
登録日2020-01-29
公開日2020-09-23
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Neutralizing Antibody Responses Induced by HIV-1 Envelope Glycoprotein SOSIP Trimers Derived from Elite Neutralizers.
J.Virol., 94, 2020
6VIF
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Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
分子名称: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2020-01-13
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
8G2V
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Cryo-EM structure of recombinant human LECT2 amyloid fibril core
分子名称: Leukocyte cell-derived chemotaxin-2
著者Richards, L.S, Flores, M.D, Zink, S, Schibrowsky, N.A, Sawaya, M.R, Rodriguez, J.A.
登録日2023-02-06
公開日2023-08-16
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.715 Å)
主引用文献Cryo-EM structure of a human LECT2 amyloid fibril reveals a network of polar ladders at its core.
Structure, 31, 2023
5KAF
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RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-06-01
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.00001 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
6NTM
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Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-232 in Complex with the Reactivator, HI-6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ...
著者Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D.
登録日2019-01-29
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.552 Å)
主引用文献Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents
To Be Published
6VL5
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BG505 SOSIP reconstructed from a designed tetrahedral nanoparticle, BG505 SOSIP-T33_dn2
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, BG505 SOSIP.v5.2(7S) - gp120, ...
著者Ward, A.B, Antanasijevic, A.
登録日2020-01-22
公開日2020-08-12
最終更新日2020-09-02
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
5N9L
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Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive dibenzofuran inhibitor TF (4b)
分子名称: (4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one, ACETATE ION, Casein kinase II subunit alpha, ...
著者Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J.
登録日2017-02-25
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors.
Pharmaceuticals, 11, 2018

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