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6MZL
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Human TFIID canonical state
分子名称: TATA-box-binding protein, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 10, ...
著者Patel, A.B, Louder, R.K, Greber, B.J, Grunberg, S, Luo, J, Fang, J, Liu, Y, Ranish, J, Hahn, S, Nogales, E.
登録日2018-11-05
公開日2018-11-28
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Structure of human TFIID and mechanism of TBP loading onto promoter DNA.
Science, 362, 2018
6N3K
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Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 1
分子名称: Epoxide hydrolase, N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea
著者de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
登録日2018-11-15
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
6N83
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Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
分子名称: CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ...
著者Park, J, Schilling, M.A, Berghuis, A.M.
登録日2018-11-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
6N7Z
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Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
分子名称: CHLORIDE ION, Farnesyl pyrophosphate synthase, GLYCEROL, ...
著者Park, J, Berghuis, A.M.
登録日2018-11-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
6OC8
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Crystal structure of a VHH against the capsid protein from BLV
分子名称: GLYCEROL, SULFATE ION, VHH8c
著者Carrion, F, Larrieux, N, Trajtenberg, F, Buschiazzo, A.
登録日2019-03-22
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.109 Å)
主引用文献BLV capsid self-assembly inhibition by heavy chain antibodies
To be Published
6OA3
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Structure of human PARG complexed with JA2131
分子名称: (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase
著者Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A.
登録日2019-03-15
公開日2019-12-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
6OJP
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Structure of glycolipid alpha-GSA[8,6P] in complex with mouse CD1d
分子名称: (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Bitra, A.
登録日2019-04-11
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
6O9Y
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Structure of human PARG complexed with JA2-8
分子名称: 7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase
著者Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A.
登録日2019-03-15
公開日2019-12-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
6OK8
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Crystal structure of Staphylococcal nuclease variant Delta+PHS K127L at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G.
登録日2019-04-12
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Toward the computational design of protein crystals with improved resolution.
Acta Crystallogr D Struct Biol, 75, 2019
4MSL
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Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431
分子名称: N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ...
著者Andersen, J.L, Strandbygaard, D, Thirup, S.
登録日2013-09-18
公開日2014-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
6O0D
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Saxiphilin Apo structure
分子名称: Saxiphilin
著者Yen, T.J, Lolicato, M, Minor, D.L.
登録日2019-02-16
公開日2019-07-10
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins.
Sci Adv, 5, 2019
6O18
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Unliganded alpha-L-fucosidase AlfC from Lactobacillus casei
分子名称: AlfC
著者Klontz, E.H, Sundberg, E.J.
登録日2019-02-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020
6NZQ
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_29 AKA 6-[(5-FLUORO-4-METH YLPYRIDIN-2-YL)AMINO]-4-({2-METHOXY-3-[(PYRIDIN-2-YLMETHYL )CARBAMOYL]PHENYL}AMINO)-N-METHYLPYRIDINE-3-CARBOXAMIDE
分子名称: 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6O0F
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Saxiphilin:STX complex, co-crystal
分子名称: Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
著者Yen, T.J, Lolicato, M, Minor, D.L.
登録日2019-02-16
公開日2019-07-10
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins.
Sci Adv, 5, 2019
6OAH
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Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-78
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ...
著者Park, J, Berghuis, A.M.
登録日2019-03-16
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
6NQA
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Active state Dot1L bound to the H2B-Ubiquitinated nucleosome, 1-to-1 complex
分子名称: 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ...
著者Worden, E.J, Hoffmann, N.A, Wolberger, C.
登録日2019-01-19
公開日2019-02-20
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L.
Cell, 176, 2019
6NZR
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide
分子名称: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZP
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-11 AKA 6-CYCLOPROPANEAMIDO-4-{[2-METHOXY-3-(1-METHYL-1H-1,2,4-TRI AZOL-3-YL)PHENYL]AMINO}-N-(?H?)METHYLPYRIDAZINE-3-CARBOXAMIDE
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, CHLORIDE ION, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6O6O
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Structure of the regulator FasR from Mycobacterium tuberculosis
分子名称: MYRISTIC ACID, TetR family transcriptional regulator
著者Larrieux, N, Trajtenberg, F, Lara, J, Gramajo, H, Buschiazzo, A.
登録日2019-03-07
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Mycobacterium tuberculosis FasR senses long fatty acyl-CoA through a tunnel and a hydrophobic transmission spine.
Nat Commun, 11, 2020
6ORL
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BU of 6orl by Molmil
RF1 pre-accommodated 70S complex at 24 ms
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
登録日2019-04-30
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
6OT3
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RF2 accommodated state bound Release complex 70S at 24 ms
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
登録日2019-05-02
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
4K00
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Crystal structure of Slr0204, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Synechocystis
分子名称: 1,2-ETHANEDIOL, 1,4-dihydroxy-2-naphthoyl-CoA hydrolase
著者Furt, F, Allen, W.J, Widhalm, J.R, Madzelan, P, Rizzo, R.C, Basset, G, Wilson, M.A.
登録日2013-04-03
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis.
Acta Crystallogr.,Sect.D, 69, 2013
6O6N
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Structure of the regulator FasR from Mycobacterium tuberculosis in complex with C20-CoA
分子名称: Arachinoyl-CoA, CHLORIDE ION, TetR family transcriptional regulator
著者Larrieux, N, Trajtenberg, F, Lara, J, Gramajo, H, Buschiazzo, A.
登録日2019-03-07
公開日2020-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mycobacterium tuberculosis FasR senses long fatty acyl-CoA through a tunnel and a hydrophobic transmission spine.
Nat Commun, 11, 2020
6OST
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BU of 6ost by Molmil
RF2 pre-accommodated state bound Release complex 70S at 24ms
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
登録日2019-05-02
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
6OA0
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Structure of human PARG complexed with JA2-9
分子名称: 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid, Poly(ADP-ribose) glycohydrolase
著者Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A.
登録日2019-03-15
公開日2019-12-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019

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