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6DF4
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TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
分子名称: 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit
著者Murray, J.M, Tang, Y.
登録日2018-05-14
公開日2018-10-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.
J. Med. Chem., 61, 2018
6WU8
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BU of 6wu8 by Molmil
Structure of human SHP2 in complex with inhibitor IACS-13909
分子名称: 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Leonard, P.G, Joseph, S, Rodenberger, A.
登録日2020-05-04
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
3PJZ
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BU of 3pjz by Molmil
Crystal Structure of the Potassium Transporter TrkH from Vibrio parahaemolyticus
分子名称: POTASSIUM ION, Potassium uptake protein TrkH
著者Cao, Y, Jin, X, Huang, H, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2010-11-10
公開日2011-01-19
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3.506 Å)
主引用文献Crystal structure of a potassium ion transporter, TrkH.
Nature, 471, 2011
6VN7
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BU of 6vn7 by Molmil
Cryo-EM structure of an activated VIP1 receptor-G protein complex
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Duan, J, Shen, D.-D, Zhou, X.E, Liu, Q.-F, Zhuang, Y.-W, Zhang, H.-B, Xu, P.-Y, Ma, S.-S, He, X.-H, Melcher, K, Zhang, Y, Xu, H.E, Yi, J.
登録日2020-01-29
公開日2020-09-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of an activated VIP1 receptor-G protein complex revealed by a NanoBiT tethering strategy.
Nat Commun, 11, 2020
6DF7
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BU of 6df7 by Molmil
TAF1-BD2 in complex with Cpd27 (6-(but-3-en-1-yl)-4-(1-methyl-6-(morpholine-4-carbonyl)-1H-benzo[d]imidazol-4-yl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
分子名称: 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit
著者Murray, J.M.
登録日2018-05-14
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.
J. Med. Chem., 61, 2018
6FBV
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BU of 6fbv by Molmil
Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Das, K, Lin, W, Ebright, E.
登録日2017-12-19
公開日2018-02-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
6PMJ
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BU of 6pmj by Molmil
Sigm28-transcription initiation complex with specific promoter at the state 2
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Liu, B, Shi, W.
登録日2019-07-02
公開日2020-05-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
6IIK
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BU of 6iik by Molmil
USP14 catalytic domain with IU1
分子名称: 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, Y.W, He, W, Wang, F.
登録日2018-10-06
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
6IIN
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BU of 6iin by Molmil
USP14 catalytic domain with IU1-248
分子名称: 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W.
登録日2018-10-07
公開日2018-12-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
6IIM
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BU of 6iim by Molmil
USP14 catalytic domain with IU1-206
分子名称: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W.
登録日2018-10-07
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
5KDT
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BU of 5kdt by Molmil
Structure of the human GluN1/GluN2A LBD in complex with GNE0723
分子名称: (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-06-08
公開日2016-07-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J. Med. Chem., 59, 2016
5JD0
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BU of 5jd0 by Molmil
crystal structure of ARAP3 RhoGAP domain
分子名称: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
著者Bao, H, Li, F, Wu, J, Shi, Y.
登録日2016-04-15
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for the Specific Recognition of RhoA by the Dual GTPase-activating Protein ARAP3
J.Biol.Chem., 291, 2016
7SAQ
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BU of 7saq by Molmil
Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
著者Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S.
登録日2021-09-23
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
7SAR
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BU of 7sar by Molmil
Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
著者Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S.
登録日2021-09-23
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
7SAS
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BU of 7sas by Molmil
Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
著者Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S.
登録日2021-09-23
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
5J9K
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BU of 5j9k by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) in complex with rice D53 repressor EAR peptide motif
分子名称: Protein TPR1, ZINC ION, rice D53 peptide 794-808
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-10
公開日2017-07-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
5JGC
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BU of 5jgc by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A, L130A, L179A and I195A mutant
分子名称: Protein TPR1, ZINC ION
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-20
公開日2017-07-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
5JHP
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BU of 5jhp by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L179A and I195A mutant in complex with rice D53 repressor EAR peptide motif
分子名称: Protein TPR1, The rice D53 EAR peptide (794-808)
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-21
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
8CZJ
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BU of 8czj by Molmil
A bacteria Zrt/Irt-like protein in the apo state
分子名称: Putative membrane protein, SULFATE ION, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
著者Zhang, Y, Hu, J.
登録日2022-05-24
公開日2023-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献Structural insights into the elevator-type transport mechanism of a bacterial ZIP metal transporter.
Nat Commun, 14, 2023
4XZ7
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BU of 4xz7 by Molmil
Crystal structure of a TGase
分子名称: Putative uncharacterized protein
著者Yu, J, Ge, J, Yang, M.
登録日2015-02-04
公開日2015-06-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Functional and Structural Characterization of the Antiphagocytic Properties of a Novel Transglutaminase from Streptococcus suis
J.Biol.Chem., 290, 2015
5TP9
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BU of 5tp9 by Molmil
Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178)
分子名称: 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-10-20
公開日2016-11-30
最終更新日2017-02-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
7M7D
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BU of 7m7d by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968
分子名称: (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Leonard, P.G, Cross, J.B.
登録日2021-03-27
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
7M63
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Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099
分子名称: (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1
著者Leonard, P.G, Cross, J.B.
登録日2021-03-25
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
6WIB
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BU of 6wib by Molmil
Next generation monomeric IgG4 Fc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 4, ZINC ION
著者Oganesyan, V.Y, Shan, L, Dall'Acqua, W, van Dyk, N.
登録日2020-04-09
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021
6WMH
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Next generation monomeric IgG4 Fc
分子名称: Immunoglobulin heavy constant gamma 4
著者Oganesyan, V.Y, Shan, L, van Dyk, N, Dall'Acqua, W.F.
登録日2020-04-21
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021

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