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8I87
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BU of 8i87 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA-DNA complex
分子名称: DNA (5'-D(P*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*A)-3'), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Zhang, H, Deng, Z.Q, Yu, G.M, Li, X.Z, Wang, X.S.
登録日2023-02-03
公開日2023-07-19
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
8IN8
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BU of 8in8 by Molmil
Cryo-EM structure of the target ssDNA-bound SIR2-APAZ/Ago-gRNA quaternary complex
分子名称: DNA (5'-D(P*AP*AP*CP*GP*AP*CP*GP*TP*CP*TP*AP*AP*GP*AP*AP*AP*CP*CP*AP*TP*TP*AP*A)-3'), MAGNESIUM ION, Piwi domain protein, ...
著者Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S.
登録日2023-03-08
公開日2023-07-05
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
2QTF
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BU of 2qtf by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus
分子名称: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
著者Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
登録日2007-08-02
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
2QTH
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BU of 2qth by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus in complex with GDP
分子名称: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
著者Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
登録日2007-08-02
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
6LZZ
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BU of 6lzz by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 4a
分子名称: 1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Huang, Y.Y, Wu, Y, Luo, H.B.
登録日2020-02-19
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.40003753 Å)
主引用文献Identification of phosphodiesterase-9 as a novel target for pulmonary arterial hypertension by using highly selective and orally bioavailable inhibitors
To Be Published
6IPQ
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BU of 6ipq by Molmil
Non-native ferritin 8-mer mutant-C90A/C102A/C130A
分子名称: Ferritin heavy chain, MAGNESIUM ION
著者Zang, J, Chen, H, Wang, Y, Zhao, G.
登録日2018-11-03
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
5UGC
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BU of 5ugc by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
8EWG
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BU of 8ewg by Molmil
Cryo-EM structure of a riboendonclease
分子名称: CRISPR-associated endonuclease Cas9, RNA (56-MER)
著者Li, Z, Wang, F.
登録日2022-10-23
公開日2023-08-30
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural Basis for the Ribonuclease Activity of a Thermostable CRISPR-Cas13a from Thermoclostridium caenicola.
J.Mol.Biol., 435, 2023
5UG8
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BU of 5ug8 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2017-04-26
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
6IPC
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BU of 6ipc by Molmil
Non-native human ferritin 8-mer
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Ferritin heavy chain
著者Zang, J.C, Chen, H, Zhao, G.
登録日2018-11-03
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.443 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
6IPP
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BU of 6ipp by Molmil
Non-native ferritin 8-mer mutant-C90A/C102A/C130A/D144C
分子名称: FE (III) ION, Ferritin heavy chain
著者Zang, J, Chen, H, Zhou, K, Zhao, G.
登録日2018-11-03
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
5UG9
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BU of 5ug9 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UGA
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BU of 5uga by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
分子名称: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UGB
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BU of 5ugb by Molmil
Crystal structure of the EGFR kinase domain in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
分子名称: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
6JC7
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BU of 6jc7 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Ala
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, ACETIC ACID, CrmG, ...
著者Xu, J, Su, K, Liu, J.
登録日2019-01-28
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6JC9
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BU of 6jc9 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Gln
分子名称: ACETIC ACID, CrmG, GLUTAMINE, ...
著者Xu, J, Liu, J.
登録日2019-01-28
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6JLC
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BU of 6jlc by Molmil
Structure determination of CAMP factor of Mobiluncus curtisii and insight into structural dynamics
分子名称: ACETATE ION, CAMP factor
著者Jin, T.C, Zeng, W.H.
登録日2019-03-04
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Structure determination of CAMP factor of Mobiluncus curtisii and insights into structural dynamics.
Int.J.Biol.Macromol., 150, 2020
6JCB
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BU of 6jcb by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in C2 space group
分子名称: CrmG
著者Xu, J, Liu, J.
登録日2019-01-28
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6JCA
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BU of 6jca by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in I222 space group
分子名称: CHLORIDE ION, CrmG, GLYCEROL, ...
著者Xu, J, Liu, J.
登録日2019-01-28
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6JC8
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BU of 6jc8 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Glu
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, CrmG, GLYCEROL
著者Xu, J, Liu, J.
登録日2019-01-28
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
5ITA
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BU of 5ita by Molmil
Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM
分子名称: N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Wu, Y, Gavathiotis, E.
登録日2016-03-16
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
5WJ6
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BU of 5wj6 by Molmil
Crystal structure of glutaminase C in complex with inhibitor 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (UPGL-00004)
分子名称: 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2017-07-21
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Characterization of the interactions of potent allosteric inhibitors with glutaminase C, a key enzyme in cancer cell glutamine metabolism.
J. Biol. Chem., 293, 2018
6CFS
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BU of 6cfs by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutation M186Q
分子名称: MAGNESIUM ION, Phosphomannomutase 1
著者Ji, T, Dunaway-Mariano, D, Allen, K.N.
登録日2018-02-17
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
6CFV
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BU of 6cfv by Molmil
Structure of Human alpha-Phosphomannomutase 1 in complex with Inosine Monophosphate
分子名称: INOSINIC ACID, MAGNESIUM ION, Phosphomannomutase 1
著者Ji, T, Dunaway-Mariano, D, Allen, K.N.
登録日2018-02-17
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
6CFT
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BU of 6cft by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutations R180T and R183I
分子名称: MAGNESIUM ION, Phosphomannomutase 1
著者Ji, T, Dunaway-Mariano, D, Allen, K.N.
登録日2018-02-17
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018

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