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5H1T
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BU of 5h1t by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 1
分子名称: DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ...
著者Liu, J.
登録日2016-10-11
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
3ZEE
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BU of 3zee by Molmil
Electron cyro-microscopy helical reconstruction of Par-3 N terminal domain
分子名称: PARTITIONING DEFECTIVE 3 HOMOLOG
著者Zhang, Y, Wang, W, Chen, J, Zhang, K, Gao, F, Gong, W, Zhang, M, Sun, F, Feng, W.
登録日2012-12-05
公開日2013-10-16
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structural Insights Into the Intrinsic Self-Assembly of Par-3 N-Terminal Domain.
Structure, 21, 2013
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
著者Yan, X.E, Yun, C.H.
登録日2016-07-21
公開日2017-04-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
4R7M
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BU of 4r7m by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, DIMETHYL SULFOXIDE, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-28
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R5V
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BU of 4r5v by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: GLYCEROL, M1 family aminopeptidase, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-22
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
3DG7
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BU of 3dg7 by Molmil
Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis complexed with muconolactone
分子名称: MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
著者Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C.
登録日2008-06-12
公開日2009-03-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes
Biochemistry, 48, 2009
4R5X
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BU of 4r5x by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: 3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-22
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2016-08-23
公開日2017-09-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
5H1V
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BU of 5h1v by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 6
分子名称: 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
著者Liu, J.
登録日2016-10-11
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
8T1Y
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BU of 8t1y by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) Bound to Neu5Ac2en (DANA)
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DI(HYDROXYETHYL)ETHER, Sialidase, ...
著者Clark, N.D, Malkowski, M.G.
登録日2023-06-05
公開日2023-10-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T27
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BU of 8t27 by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) D219A mutant bound to 6'-Sialyllactose (only Neu5Ac visible)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, ...
著者Clark, N.D, Malkowski, M.G.
登録日2023-06-05
公開日2023-10-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T1Z
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BU of 8t1z by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) Bound to Neu5Ac (NANA)
分子名称: DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, Sialidase, ...
著者Clark, N.D, Malkowski, M.G.
登録日2023-06-05
公開日2023-10-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T24
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BU of 8t24 by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352)- Fructose bound in CBM
分子名称: CITRATE ANION, D-fructose, DI(HYDROXYETHYL)ETHER, ...
著者Clark, N.D, Malkowski, M.G.
登録日2023-06-05
公開日2023-10-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T26
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BU of 8t26 by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) D219A mutant bound to 3'-Sialyllactose (only Neu5Ac visible)
分子名称: DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, Sialidase, ...
著者Clark, N.D, Malkowski, M.G.
登録日2023-06-05
公開日2023-10-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
7QVJ
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BU of 7qvj by Molmil
ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29
分子名称: 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol, Estrogen receptor
著者Breed, J.
登録日2022-01-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
7QVL
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BU of 7qvl by Molmil
OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38
分子名称: (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor
著者Breed, J.
登録日2022-01-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
4R76
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BU of 4r76 by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: 3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, M17 family aminopeptidase, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-27
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
7CM9
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BU of 7cm9 by Molmil
DMSP lyase DddX
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION
著者Li, C.Y, Zhang, Y.Z.
登録日2020-07-25
公開日2021-05-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
4R5T
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BU of 4r5t by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-22
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R6T
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BU of 4r6t by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: CARBONATE ION, DIMETHYL SULFOXIDE, M17 leucyl aminopeptidase, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-26
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
7R4U
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BU of 7r4u by Molmil
Apoform of FtrA/P19 from Rubrivivax gelatinosus
分子名称: FtrA-P19, GLYCEROL, SODIUM ION, ...
著者Morera, S, Vigouroux, A, Plancqueel, S.
登録日2022-02-09
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.
Febs J., 289, 2022
7R3S
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BU of 7r3s by Molmil
FtrA/P19 of Rubrivivax gelatinosus in complex with Ni
分子名称: FtrA-P19 protein, GLYCEROL, NICKEL (II) ION, ...
著者Morera, S, Vigouroux, A.
登録日2022-02-07
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.
Febs J., 289, 2022
7R5G
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BU of 7r5g by Molmil
FtrA-P19 from Rubrivivax gelatinosus in complex with copper and magnesium (X2)
分子名称: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, FtrA-P19, ...
著者Morera, S, Vigouroux, A.
登録日2022-02-10
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.
Febs J., 289, 2022
7R4Z
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BU of 7r4z by Molmil
Strep-tag FtrA-P19 from Rubrivivax gelatinosus in complex with iron and copper
分子名称: COPPER (I) ION, FE (III) ION, FtrA-P19 protein
著者Morera, S, Vigouroux, A.
登録日2022-02-09
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.
Febs J., 289, 2022
7R3P
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BU of 7r3p by Molmil
Apoform of the periplasmic FtrA/P19 protein from Rubrivivax gelatinosus (His-tag)
分子名称: DI(HYDROXYETHYL)ETHER, FtrA-P19 protein, GLYCEROL, ...
著者Morera, S, Vigouroux, A.
登録日2022-02-07
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.
Febs J., 289, 2022

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