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7XJP
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BU of 7xjp by Molmil
Cryo-EM structure of EDS1 and SAG101 with ATP-APDR
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, ISOPROPYL ALCOHOL, ...
著者Huang, S.J, Jia, A.L, Han, Z.F, Chai, J.J.
登録日2022-04-18
公開日2022-07-20
最終更新日2022-08-10
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
7XOZ
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BU of 7xoz by Molmil
Crystal structure of RPPT-TIR
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase
著者Song, W, Jia, A, Huang, S, Chai, J.
登録日2022-05-02
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
7DHP
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BU of 7dhp by Molmil
Crystal structure of MazF from Deinococcus radiodurans
分子名称: Endoribonuclease MazF, SULFATE ION
著者Zhao, Y, Dai, J.
登録日2020-11-17
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献MazEF Toxin-Antitoxin System-Mediated DNA Damage Stress Response in Deinococcus radiodurans.
Front Genet, 12, 2021
7XEY
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BU of 7xey by Molmil
EDS1-PAD4 complexed with pRib-ADP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-beta-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, ...
著者Huang, S, Jia, A, Xiao, Y.
登録日2022-03-31
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity.
Science, 377, 2022
7XDD
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BU of 7xdd by Molmil
Cryo-EM structure of EDS1 and PAD4
分子名称: Lipase-like PAD4, Protein EDS1
著者Huang, S.J, Jia, A.L, Sun, Y, Han, Z.F, Chai, J.J.
登録日2022-03-26
公開日2022-07-13
最終更新日2022-08-10
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity.
Science, 377, 2022
7COC
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BU of 7coc by Molmil
Ternary complex of DNA polymerase Mu (K438A/Q441A) with 1-nt gapped DNA (T:dGMPNPP)
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ...
著者Guo, M, Zhao, Y.
登録日2020-08-04
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
7CO8
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BU of 7co8 by Molmil
Ternary complex of DNA polymerase Mu with 2-nt gapped DNA (T:dGMPNPP)
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ...
著者Guo, M, Zhao, Y.
登録日2020-08-04
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
7COD
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BU of 7cod by Molmil
Post insertion complex of DNA polymerase Mu (K438A/Q441A) with 1-nt gapped DNA
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*AP*G)-3'), ...
著者Guo, M, Zhao, Y.
登録日2020-08-04
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
7COB
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BU of 7cob by Molmil
Ternary complex of DNA polymerase Mu (Q441A) with 1-nt gapped DNA (T:dGMPNPP)
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ...
著者Guo, M, Zhao, Y.
登録日2020-08-04
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
7CO6
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BU of 7co6 by Molmil
Binary complex of DNA polymerase Mu with 1-nt gapped DNA (templating thymine)
分子名称: CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ...
著者Guo, M, Zhao, Y.
登録日2020-08-04
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
7CO9
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BU of 7co9 by Molmil
Ternary complex of DNA polymerase Mu with 1-nt gapped DNA (T:dGMPNPP) and Mg
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ...
著者Guo, M, Zhao, Y.
登録日2020-08-04
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
7COA
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BU of 7coa by Molmil
Ternary complex of DNA polymerase Mu with 1-nt gapped DNA (T:dGMPNPP) and Mn
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ...
著者Guo, M, Zhao, Y.
登録日2020-08-04
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
7M7W
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BU of 7m7w by Molmil
Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ...
著者Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
登録日2021-03-29
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
8I1V
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BU of 8i1v by Molmil
The asymmetric unit of P22 procapsid
分子名称: Major capsid protein, Scaffolding protein
著者Xiao, H, Liu, H.R, Cheng, L.P.
登録日2023-01-13
公開日2023-03-08
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
8I1T
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BU of 8i1t by Molmil
The asymmetric unit of P22 empty capsid
分子名称: Major capsid protein
著者Xiao, H, Liu, H.R, Cheng, L.P.
登録日2023-01-13
公開日2023-03-08
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
8I99
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BU of 8i99 by Molmil
N-carbamoyl-D-amino-acid hydrolase mutant - M4Th3
分子名称: N-carbamoyl-D-amino-acid hydrolase
著者Hu, J.M, Ni, Y, Xu, G.C.
登録日2023-02-06
公開日2023-03-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Engineering the Thermostability of a d-Carbamoylase Based on Ancestral Sequence Reconstruction for the Efficient Synthesis of d-Tryptophan.
J.Agric.Food Chem., 71, 2023
6W0W
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BU of 6w0w by Molmil
Structure of KHK in complex with compound 3
分子名称: 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W0Y
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BU of 6w0y by Molmil
Structure of KHK in complex with compound 6 (2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)
分子名称: 2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W0N
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BU of 6w0n by Molmil
Structure of KHK in complex with compound 2
分子名称: 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ...
著者Jasti, J.
登録日2020-03-02
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
4QO4
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BU of 4qo4 by Molmil
co-crystal structure of MDM2 (17-111) with compound 16, {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-(6-CYCLOPROPYLPYRIDIN-2-YL)PROPYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2014-06-19
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Potent and Simplified Piperidinone-Based Inhibitors of the MDM2-p53 Interaction.
ACS Med Chem Lett, 5, 2014
4QOC
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BU of 4qoc by Molmil
crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2014-06-19
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014
4Y8C
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BU of 4y8c by Molmil
Crystal structure of phosphodiesterase 9 in complex with (S)-C33
分子名称: 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Huang, M.
登録日2015-02-16
公開日2015-09-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
4Y87
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BU of 4y87 by Molmil
Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one)
分子名称: 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Huang, M.
登録日2015-02-16
公開日2015-09-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
4Y86
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BU of 4y86 by Molmil
Crystal structure of PDE9 in complex with racemic inhibitor C33
分子名称: 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ...
著者Huang, M.
登録日2015-02-16
公開日2015-09-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
4WT2
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BU of 4wt2 by Molmil
Co-crystal Structure of MDM2 in Complex with AM-7209
分子名称: 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-10-30
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014

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