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6M6V
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BU of 6m6v by Molmil
Crystal structure the toxin-antitoxin MntA-HepT
分子名称: RNA (5'-R(P*AP*AP*A)-3'), Toxin-antitoxin system antidote Mnt family, Toxin-antitoxin system toxin HepN family
著者Ouyang, S.Y, Zhen, X.K.
登録日2020-03-16
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Novel polyadenylylation-dependent neutralization mechanism of the HEPN/MNT toxin/antitoxin system.
Nucleic Acids Res., 48, 2020
6AX3
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BU of 6ax3 by Molmil
Complex structure of JMJD5 and Symmetric Dimethyl-Arginine (SDMA)
分子名称: 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, N3, ...
著者Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G.
登録日2017-09-06
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
6AY3
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BU of 6ay3 by Molmil
CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide)
分子名称: 1,2-ETHANEDIOL, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide, CREB-binding protein, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6B85
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BU of 6b85 by Molmil
Crystal structure of transmembrane protein TMHC4_R
分子名称: TMHC4_R
著者Lu, P, DiMaio, F, Min, D, Bowie, J, Wei, K.Y, Baker, D.
登録日2017-10-05
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.889 Å)
主引用文献Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
6B87
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Crystal structure of transmembrane protein TMHC2_E
分子名称: TMHC2_E
著者Lu, P, DiMaio, F, Min, D, Wei, K.Y, Bowie, J, Baker, D.
登録日2017-10-05
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.947 Å)
主引用文献Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
6BMV
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Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP504
分子名称: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
7VSI
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BU of 7vsi by Molmil
Structure of human SGLT2-MAP17 complex bound with empagliflozin
分子名称: (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, PALMITIC ACID, PDZK1-interacting protein 1, ...
著者Chen, L, Niu, Y, Liu, R.
登録日2021-10-26
公開日2021-12-15
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural basis of inhibition of the human SGLT2-MAP17 glucose transporter.
Nature, 601, 2022
6BMU
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Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP244
分子名称: 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMY
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BU of 6bmy by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP844
分子名称: 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMR
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BU of 6bmr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP244
分子名称: 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, GLYCEROL, PHOSPHATE ION, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BUU
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BU of 6buu by Molmil
Crystal structure of AKT1 (aa 144-480) with a bisubstrate
分子名称: GLY-ARG-PRO-ARG-THR-THR-ZXW-PHE-ALA-GLU, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ...
著者Chu, N, Gabelli, S.B, Cole, P.A.
登録日2017-12-11
公開日2018-08-22
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
6BMX
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BU of 6bmx by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP844
分子名称: 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, GLYCEROL, PHOSPHATE ION, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6MSQ
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BU of 6msq by Molmil
Crystal structure of pRO-2.3
分子名称: pRO-2.3
著者Boyken, S.E, Sankaran, B, Bick, M.J, Baker, D.
登録日2018-10-17
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
6MSR
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Crystal structure of pRO-2.5
分子名称: pRO-2.5
著者Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D.
登録日2018-10-17
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
6NCL
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BU of 6ncl by Molmil
Near-atomic structure of icosahedrally averaged PBCV-1 capsid
分子名称: Major capsid protein, P1, P10, ...
著者Fang, Q, Rossmann, M.G.
登録日2018-12-11
公開日2019-01-30
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Near-atomic structure of a giant virus.
Nat Commun, 10, 2019
6NPZ
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BU of 6npz by Molmil
Crystal structure of Akt1 (aa 123-480) kinase with a bisubstrate
分子名称: GLYCEROL, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ...
著者Chu, N, Cole, P.A, Gabelli, S.B.
登録日2019-01-18
公開日2019-01-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
6COK
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BU of 6cok by Molmil
Structure of the 2nd TOG domain from yeast CLASP protein STU1
分子名称: Protein STU1
著者Majumdar, S, Rice, L.M.
登録日2018-03-12
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献An isolated CLASP TOG domain suppresses microtubule catastrophe and promotes rescue.
Mol. Biol. Cell, 29, 2018
6NQD
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BU of 6nqd by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 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, 8ANC195 G52K5 heavy chain, ...
著者Fang, Q, Rossmann, M.G.
登録日2019-01-21
公開日2019-03-06
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献A sequestered fusion peptide in the structure of an HIV-1 transmitted founder envelope trimer.
Nat Commun, 10, 2019
8WSP
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BU of 8wsp by Molmil
Crystal structure of SFTSV Gn and antibody SF5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab5-H, Ab5-L, ...
著者Chang, Z, Gao, F, Wu, Y.
登録日2023-10-17
公開日2024-06-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
8WSU
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BU of 8wsu by Molmil
Crystal structure of SFTSV Gc and antibody
分子名称: Ab-H, Ab-L, Glycoprotein C
著者Chang, Z, Gao, F, Wu, Y.
登録日2023-10-17
公開日2024-06-12
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
8WSN
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BU of 8wsn by Molmil
Crystal structure of SFTSV Gn and antibody SF1
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, Ab1-H, ...
著者Chang, Z, Gao, F, Wu, Y.
登録日2023-10-17
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
6BMW
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BU of 6bmw by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP504
分子名称: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6DL2
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BU of 6dl2 by Molmil
BRD4 bromodomain 1 in complex with HYB157
分子名称: 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4
著者Meagher, J.L, Stuckey, J.A.
登録日2018-05-31
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression.
J. Med. Chem., 61, 2018
5CGY
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Fab fragment of Chikungunya virus neutralizing human monoclonal antibody 4J21
分子名称: Heavy Chain of Fab, Light Chain of Fab
著者Long, F, Crowe, J.E, Rossmann, M.G.
登録日2015-07-09
公開日2015-11-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Cryo-EM structures elucidate neutralizing mechanisms of anti-chikungunya human monoclonal antibodies with therapeutic activity.
Proc.Natl.Acad.Sci.USA, 112, 2015
5CHN
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BU of 5chn by Molmil
Fab fragments of chikungunya virus neutralizing human monoclonal antibody 5M16
分子名称: Antibody 5M16 Fab Heavy Chain, Antibody 5M16 Fab Light Chain
著者Long, F, Crowe, J.E, Rossmann, M.G.
登録日2015-07-10
公開日2015-11-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Cryo-EM structures elucidate neutralizing mechanisms of anti-chikungunya human monoclonal antibodies with therapeutic activity.
Proc.Natl.Acad.Sci.USA, 112, 2015

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