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7KK2
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Structure of the catalytic domain of PARP1
分子名称: Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KK5
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Structure of the catalytic domain of PARP1 in complex with niraparib
分子名称: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KKO
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BU of 7kko by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with olaparib
分子名称: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase, ZINC ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KKP
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BU of 7kkp by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with niraparib
分子名称: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Poly [ADP-ribose] polymerase, SULFATE ION, ...
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
6O1S
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BU of 6o1s by Molmil
Structure of human plasma kallikrein protease domain with inhibitor
分子名称: 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ...
著者Partridge, J.R, Choy, R.M.
登録日2019-02-21
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
7YFK
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BU of 7yfk by Molmil
The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin
分子名称: Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1
著者Xia, Y, Yao, D, Huang, C, Cao, Y.
登録日2022-07-08
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions.
Nat Commun, 14, 2023
5XKN
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BU of 5xkn by Molmil
Crystal structure of plant receptor ERL2 in complexe with EPFL4
分子名称: EPIDERMAL PATTERNING FACTOR-like protein 4, LRR receptor-like serine/threonine-protein kinase ERL2
著者Chai, J, Lin, G.
登録日2017-05-08
公開日2019-01-23
実験手法X-RAY DIFFRACTION (3.651 Å)
主引用文献A receptor-like protein acts as a specificity switch for the regulation of stomatal development.
Genes Dev., 31, 2017
6UIS
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BU of 6uis by Molmil
HIV-1 M184V reverse transcriptase-DNA complex with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Primer DNA, ...
著者Lansdon, E.B.
登録日2019-10-01
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.74833822 Å)
主引用文献Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
6UIR
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HIV-1 M184V reverse transcriptase-DNA complex with (-)-FTC-TP
分子名称: MAGNESIUM ION, Primer DNA, SULFATE ION, ...
著者Lansdon, E.B.
登録日2019-10-01
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.63900113 Å)
主引用文献Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
6UJX
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BU of 6ujx by Molmil
HIV-1 wild-type reverse transcriptase-DNA complex with (-)-FTC-TP
分子名称: DNA primer, DNA template, MAGNESIUM ION, ...
著者Lansdon, E.B.
登録日2019-10-03
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.70451212 Å)
主引用文献Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
6UJY
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BU of 6ujy by Molmil
HIV-1 wild-type reverse transcriptase-DNA complex with (-)-3TC-TP
分子名称: Lamivudine Triphosphate, MAGNESIUM ION, SULFATE ION, ...
著者Lansdon, E.B.
登録日2019-10-03
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.59456086 Å)
主引用文献Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
6UJZ
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BU of 6ujz by Molmil
HIV-1 wild-type reverse transcriptase-DNA complex with (+)-FTC-TP
分子名称: MAGNESIUM ION, SULFATE ION, [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate, ...
著者Lansdon, E.B.
登録日2019-10-03
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55642557 Å)
主引用文献Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
5YA5
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BU of 5ya5 by Molmil
CRYSTAL STRUCTURE OF c-MET IN COMPLEX WITH NOVEL INHIBITOR
分子名称: 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole, Hepatocyte growth factor receptor
著者Liu, Q, Xu, Y.
登録日2017-08-30
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery, optimization and biological evaluation for novel c-Met kinase inhibitors
Eur J Med Chem, 143, 2018
5W1T
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BU of 5w1t by Molmil
X-ray crystal structure of Escherichia coli RNA polymerase and DksA complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Murakami, K.S, Molodtsov, V.
登録日2017-06-04
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Allosteric Effector ppGpp Potentiates the Inhibition of Transcript Initiation by DksA.
Mol. Cell, 69, 2018
6UYD
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Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYM
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BU of 6uym by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v6 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.848 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYF
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Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 6a bound to broadly neutralizing antibody AR3B
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6VIZ
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BU of 6viz by Molmil
BRD4_Bromodomain1 complex with pyrrolopyridone compound 27
分子名称: 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
6VIY
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BRD2_Bromodomain2 complex with pyrrolopyridone compound 27
分子名称: 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
3RZ2
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Crystal of Prl-1 complexed with peptide
分子名称: Prl-1 (PTP4A1), Protein tyrosine phosphatase type IVA 1
著者Zhang, Z.-Y, Liu, D, Bai, Y.
登録日2011-05-11
公開日2011-10-26
最終更新日2014-10-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献PRL-1 protein promotes ERK1/2 and RhoA protein activation through a non-canonical interaction with the Src homology 3 domain of p115 Rho GTPase-activating protein.
J.Biol.Chem., 286, 2011
6UIT
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BU of 6uit by Molmil
HIV-1 wild-type reverse transcriptase-DNA complex with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA primer, DNA template, ...
著者Lansdon, E.B.
登録日2019-10-01
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.80607414 Å)
主引用文献Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
6UK0
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BU of 6uk0 by Molmil
HIV-1 M184V reverse transcriptase-DNA complex
分子名称: MAGNESIUM ION, Primer DNA, SULFATE ION, ...
著者Lansdon, E.B.
登録日2019-10-03
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75695229 Å)
主引用文献Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
7CZP
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BU of 7czp by Molmil
S protein of SARS-CoV-2 in complex bound with P2B-1A1
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, IG c181_light_IGLV2-14_IGLJ3,IGL@ protein, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2020-09-09
公開日2021-03-10
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZQ
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S protein of SARS-CoV-2 in complex bound with P2B-1A10
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, IG c642_heavy_IGHV3-53_IGHD1-26_IGHJ6,Chain H of P2B-1A10,Immunoglobulin gamma-1 heavy chain, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2020-09-09
公開日2021-03-10
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZR
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S protein of SARS-CoV-2 in complex bound with P5A-1B8_2B
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, IG c542_heavy_IGHV3-53_IGHD3-10_IGHJ6,IGH@ protein, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2020-09-09
公開日2021-03-10
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021

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