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4WXX
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BU of 4wxx by Molmil
The crystal structure of human DNMT1(351-1600)
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Zhang, Z.M, Song, J.
Deposit date:2014-11-14
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.622 Å)
Cite:Crystal Structure of Human DNA Methyltransferase 1.
J.Mol.Biol., 427, 2015
4Z96
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BU of 4z96 by Molmil
Crystal structure of DNMT1 in complex with USP7
Descriptor: DNA (cytosine-5)-methyltransferase 1, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Zhang, Z.M, Song, J.
Deposit date:2015-04-09
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of DNMT1 in complex with USP7
To Be Published
4Z97
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BU of 4z97 by Molmil
Crystal structure of USP7 in complex with DNMT1(K1115Q)
Descriptor: DNA (cytosine-5)-methyltransferase 1, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Zhang, Z.M, Song, J.
Deposit date:2015-04-09
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Crystal structure of USP7 in complex with DNMT1(K1115Q)
To Be Published
6BRR
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BU of 6brr by Molmil
Crystal structure of DNMT3A (R836A)-DNMT3L in complex with DNA containing two CpG sites
Descriptor: DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ...
Authors:Zhang, Z.M, Song, J.
Deposit date:2017-11-30
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
6F57
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BU of 6f57 by Molmil
Crystal structure of DNMT3A-DNMT3L in complex with single CpG-containing DNA
Descriptor: DNA (5'-D(*AP*GP*AP*GP*CP*GP*CP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*GP*ZP*GP*CP*TP*CP*T)-3'), DNA (cytosine-5)-methyltransferase 3-like, ...
Authors:Zhang, Z.M, Song, J.
Deposit date:2017-12-01
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
5YX2
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BU of 5yx2 by Molmil
Crystal structure of DNMT3A-DNMT3L in complex with DNA containing two CpG sites
Descriptor: DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ...
Authors:Zhang, Z.M, Song, J.
Deposit date:2017-12-01
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
5W3X
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BU of 5w3x by Molmil
Crystal structure of PopP2 in complex with IP6, AcCoA and the WRKY domain of RRS1-R .
Descriptor: ACETYL COENZYME *A, Disease resistance protein RRS1, GLYCEROL, ...
Authors:Zhang, Z.M, Gao, L, Song, J.
Deposit date:2017-06-08
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of host substrate acetylation by a YopJ family effector.
Nat Plants, 3, 2017
5W40
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BU of 5w40 by Molmil
Crystal structure of PopP2 F318S in complex with IP6 and AcCoA
Descriptor: COENZYME A, INOSITOL HEXAKISPHOSPHATE, PopP2 protein
Authors:Zhang, Z.M, Gao, L, Song, J.
Deposit date:2017-06-08
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Mechanism of host substrate acetylation by a YopJ family effector.
Nat Plants, 3, 2017
5W3Y
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BU of 5w3y by Molmil
Crystal structure of PopP2 C321A in complex with IP6 and AcCoA
Descriptor: ACETYL COENZYME *A, INOSITOL HEXAKISPHOSPHATE, PopP2 protein
Authors:Zhang, Z.M, Gao, L, Song, J.
Deposit date:2017-06-08
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of host substrate acetylation by a YopJ family effector.
Nat Plants, 3, 2017
8K1W
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BU of 8k1w by Molmil
Crystal structure of PLA2 from Saccharothrix espanaensis
Descriptor: PLA2
Authors:Zhang, Z.M, Wang, F.
Deposit date:2023-07-11
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.30193019 Å)
Cite:Crystal structure of PLA2 from Saccharothrix espanaensis
To Be Published
6KZC
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BU of 6kzc by Molmil
crystal structure of TRKc in complex with 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-N-(3-((4- methylpiperazin-1-yl)methyl)-5- (trifluoromethyl)phenyl)benzamide
Descriptor: 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide, NT-3 growth factor receptor
Authors:Zhang, Z.M, Wang, Y.
Deposit date:2019-09-23
Release date:2019-10-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
8GUN
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BU of 8gun by Molmil
Crystal structure of mutant H528A of EsaD from Staphylococcus aureus
Descriptor: MAGNESIUM ION, Type VII secretion system protein EssD
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-09-13
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.30001378 Å)
Cite:A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
8GUO
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BU of 8guo by Molmil
Crystal structure of the nuclease domain of EsaD in complex with EsaG from Staphylococcus aureus
Descriptor: Type VII secretion system protein EsaG, Type VII secretion system protein EssD
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-09-13
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5939517 Å)
Cite:A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
8GUP
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BU of 8gup by Molmil
Crystal structure of EsaG from Staphylococcus aureus
Descriptor: CITRIC ACID, Type VII secretion system protein EsaG
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-09-13
Release date:2022-11-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.298725 Å)
Cite:A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
5W3T
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BU of 5w3t by Molmil
Crystal structure of PopP2 in complex with IP6
Descriptor: GLYCEROL, INOSITOL HEXAKISPHOSPHATE, PopP2 protein
Authors:Song, J, Zhang, Z.M.
Deposit date:2017-06-08
Release date:2017-08-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mechanism of host substrate acetylation by a YopJ family effector.
Nat Plants, 3, 2017
8W5C
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BU of 8w5c by Molmil
Crystal structure of FGFR4 kinase domain in complex with 8K
Descriptor: Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide
Authors:Zhang, Z.M, Huang, H.S.
Deposit date:2023-08-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8ZU2
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BU of 8zu2 by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8g
Descriptor: 2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, GLYCINE, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Authors:Zhang, Z.M, Zhou, Z.Q.
Deposit date:2024-06-07
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.79888582 Å)
Cite:Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 2024
8ZUL
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BU of 8zul by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8m
Descriptor: 2-azanyl-5-[2-[(3~{R})-3-azanylpyrrolidin-1-yl]pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Authors:Zhang, Z.M, Zhou, Z.Q.
Deposit date:2024-06-09
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.80026162 Å)
Cite:Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 2024
8ZUD
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BU of 8zud by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8f
Descriptor: 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Authors:Zhang, Z.M, Zhou, Z.Q.
Deposit date:2024-06-08
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.50510085 Å)
Cite:Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 2024
8ZTX
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BU of 8ztx by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 6b
Descriptor: 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Authors:Zhang, Z.M, Zhou, Z.Q.
Deposit date:2024-06-07
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.70033228 Å)
Cite:Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 2024
7XAF
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BU of 7xaf by Molmil
The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide
Descriptor: 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-03-17
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.001182 Å)
Cite:Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
8J5X
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BU of 8j5x by Molmil
The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09192252 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J5W
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BU of 8j5w by Molmil
The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28041458 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J61
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BU of 8j61 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.05065274 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J63
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BU of 8j63 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.0005 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023

 

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