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8I7Z
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BU of 8i7z by Molmil
The crystal structure of human abl1 kinase domain in complex with ABL1-B5
Descriptor: 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide, BETA-ALANINE, Tyrosine-protein kinase ABL1
Authors:Zhu, C, Zhang, Z.
Deposit date:2023-02-02
Release date:2024-10-23
Method:X-RAY DIFFRACTION (2.25495815 Å)
Cite:Rationally designed BCR-ABL kinase inhibitors for improved leukemia treatment via covalent and pro-/dual-drug targeting strategies.
J Adv Res, 2024
8I7T
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BU of 8i7t by Molmil
The crystal structure of human abl1 kinase domain in complex with ABL1-B4
Descriptor: Tyrosine-protein kinase ABL1, [3-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxy-phenyl] ethanesulfonate
Authors:Zhu, C, Zhang, Z.
Deposit date:2023-02-02
Release date:2024-10-23
Method:X-RAY DIFFRACTION (2.80004954 Å)
Cite:Rationally designed BCR-ABL kinase inhibitors for improved leukemia treatment via covalent and pro-/dual-drug targeting strategies.
J Adv Res, 2024
7VBT
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BU of 7vbt by Molmil
Crystal structure of RIOK2 in complex with CQ211
Descriptor: 8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-[1,2,3]triazolo[4,5-c]quinolin-4-one, Serine/threonine-protein kinase RIO2
Authors:Zhu, C, Zhang, Z.M.
Deposit date:2021-09-01
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54001474 Å)
Cite:Discovery of 8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro- 4H -[1,2,3]triazolo[4,5- c ]quinolin-4-one (CQ211) as a Highly Potent and Selective RIOK2 Inhibitor.
J.Med.Chem., 65, 2022
7W7Y
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BU of 7w7y by Molmil
The crystal structure of human abl1 kinase domain in complex with ABL2-A5
Descriptor: 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1
Authors:Zhu, C, Zhang, Z.M.
Deposit date:2021-12-06
Release date:2022-04-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.20003033 Å)
Cite:Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase.
Angew.Chem.Int.Ed.Engl., 61, 2022
7W7X
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BU of 7w7x by Molmil
The crystal structure of human abl1 kinase domain in complex with ABL1-A11
Descriptor: 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase ABL1
Authors:Zhu, C, Zhang, Z.M.
Deposit date:2021-12-06
Release date:2022-04-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.0000093 Å)
Cite:Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase.
Angew.Chem.Int.Ed.Engl., 61, 2022
1XBT
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BU of 1xbt by Molmil
Crystal Structure of Human Thymidine Kinase 1
Descriptor: MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE, Thymidine kinase, ...
Authors:Welin, M, Kosinska, U, Mikkelsen, N.E, Carnrot, C, Zhu, C, Wang, L, Eriksson, S, Munch-Petersen, B, Eklund, H.
Deposit date:2004-08-31
Release date:2004-12-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of thymidine kinase 1 of human and mycoplasmic origin
Proc.Natl.Acad.Sci.Usa, 101, 2004
4ZDS
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BU of 4zds by Molmil
Crystal Structure of core DNA binding domain of Arabidopsis Thaliana Transcription Factor Ethylene-Insensitive 3
Descriptor: Protein ETHYLENE INSENSITIVE 3
Authors:Song, J, Zhu, C, Zhang, X, Wen, X, Liu, L, Peng, J, Guo, H, Yi, C.
Deposit date:2015-04-18
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Biochemical and Structural Insights into the Mechanism of DNA Recognition by Arabidopsis ETHYLENE INSENSITIVE3.
Plos One, 10, 2015
5K02
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BU of 5k02 by Molmil
Structure of human SOD1 with T2D mutation
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Fay, J.M, Zhu, C, Cui, W, Ke, H, Dokholyan, N.V.
Deposit date:2016-05-17
Release date:2016-11-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Phosphomimetic Mutation Stabilizes SOD1 and Rescues Cell Viability in the Context of an ALS-Associated Mutation.
Structure, 24, 2016
4F5W
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BU of 4f5w by Molmil
Crystal structure of ligand free human STING CTD
Descriptor: CALCIUM ION, Transmembrane protein 173
Authors:Gu, L, Shang, G, Zhu, D, Li, N, Zhang, J, Zhu, C, Lu, D, Liu, C, Yu, Q, Zhao, Y, Xu, S.
Deposit date:2012-05-13
Release date:2012-06-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Crystal structures of STING protein reveal basis for recognition of cyclic di-GMP
Nat.Struct.Mol.Biol., 19, 2012
4F5Y
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BU of 4f5y by Molmil
Crystal structure of human STING CTD complex with C-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Transmembrane protein 173
Authors:Gu, L, Shang, G, Zhu, D, Li, N, Zhang, J, Zhu, C, Lu, D, Liu, C, Yu, Q, Zhao, Y, Xu, S.
Deposit date:2012-05-13
Release date:2012-06-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Crystal structures of STING protein reveal basis for recognition of cyclic di-GMP
Nat.Struct.Mol.Biol., 19, 2012
3TEF
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BU of 3tef by Molmil
Crystal Structure of the Periplasmic Catecholate-Siderophore Binding Protein VctP from Vibrio Cholerae
Descriptor: Iron(III) ABC transporter, periplasmic iron-compound-binding protein
Authors:Liu, X, Wang, Z, Liu, S, Li, N, Chen, Y, Zhu, C, Zhu, D, Wei, T, Huang, Y, Xu, S, Gu, L.
Deposit date:2011-08-13
Release date:2012-08-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Crystal structure of periplasmic catecholate-siderophore binding protein VctP from Vibrio cholerae at 1.7 A resolution
Febs Lett., 586, 2012
2UZ3
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BU of 2uz3 by Molmil
Crystal Structure of Thymidine Kinase with dTTP from U. urealyticum
Descriptor: MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ...
Authors:Welin, M, Kosinska, U, Mikkelsen, N.E, Carnrot, C, Zhu, C, Wang, L, Eriksson, S, Munch-Petersen, B, Eklund, H.
Deposit date:2007-04-24
Release date:2007-05-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Thymidine Kinase 1 of Human and Mycoplasmic Origin
Proc.Natl.Acad.Sci.USA, 101, 2004
8HGI
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BU of 8hgi by Molmil
Crystal structure of VNAR aGFP14 in complex with GFP
Descriptor: GFP, VNAR aGFP14
Authors:Zheng, P, Zhu, C, Jin, T.
Deposit date:2022-11-14
Release date:2023-09-27
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selection, identification and crystal structure of shark-derived single-domain antibodies against a green fluorescent protein.
Int.J.Biol.Macromol., 247, 2023
5ZC3
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BU of 5zc3 by Molmil
The Crystal Structure of PcRxLR12
Descriptor: RxLR effector
Authors:Zhao, L, Zhang, X, Zhu, C.
Deposit date:2018-02-14
Release date:2018-08-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Crystal structure of the RxLR effector PcRxLR12 from Phytophthora capsici
Biochem. Biophys. Res. Commun., 503, 2018
5X74
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BU of 5x74 by Molmil
The crystal Structure PDE delta in complex with compound (R, R)-1g
Descriptor: (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
Deposit date:2017-02-23
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5X73
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BU of 5x73 by Molmil
The crystal Structure PDE delta in complex with R-p9
Descriptor: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
Deposit date:2017-02-23
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5X72
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BU of 5x72 by Molmil
The crystal Structure PDE delta in complex with (rac)-p9
Descriptor: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
Deposit date:2017-02-23
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
7F09
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BU of 7f09 by Molmil
Crystal structure of the HLH-Lz domain of human TFE3
Descriptor: 1,2-ETHANEDIOL, Transcription factor E3, ZINC ION
Authors:Yang, G, Li, P, Liu, Z, Wu, S, Zhuang, C, Qiao, H, Fang, P, Wang, J.
Deposit date:2021-06-03
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the dimerization mechanism of human transcription factor E3.
Biochem.Biophys.Res.Commun., 569, 2021
4NII
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BU of 4nii by Molmil
Crystal structure of AlkB D135I mutant protein with cofactors bound to dsDNA containing m6A/A
Descriptor: 2-OXOGLUTARIC ACID, 5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3', 5'-D(*TP*AP*GP*GP*TP*AP*AP*(6MA)P*AP*CP*CP*GP*T)-3', ...
Authors:Yi, C.Q, Zhu, C.X.
Deposit date:2013-11-06
Release date:2014-04-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.622 Å)
Cite:Switching Demethylation Activities between AlkB Family RNA/DNA Demethylases through Exchange of Active-Site Residues.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NIH
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BU of 4nih by Molmil
Crystal structure of AlkB E136L mutant protein with cofactors bound to dsDNA containing m6A/A
Descriptor: 2-OXOGLUTARIC ACID, 5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3', 5'-D(*TP*AP*GP*GP*TP*AP*AP*(6MA)P*AP*CP*CP*GP*T)-3', ...
Authors:Yi, C.Q, Zhu, C.X.
Deposit date:2013-11-06
Release date:2014-04-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Switching Demethylation Activities between AlkB Family RNA/DNA Demethylases through Exchange of Active-Site Residues.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NIG
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BU of 4nig by Molmil
Crystal structure of AlkB D135I/E136H mutant protein with cofactors bound to dsDNA containing m6A/A
Descriptor: 2-OXOGLUTARIC ACID, 5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3', 5'-D(*TP*AP*GP*GP*TP*AP*AP*(6MA)P*AP*CP*CP*GP*T)-3', ...
Authors:Yi, C.Q, Zhu, C.X.
Deposit date:2013-11-06
Release date:2014-04-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Switching Demethylation Activities between AlkB Family RNA/DNA Demethylases through Exchange of Active-Site Residues.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NID
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BU of 4nid by Molmil
Crystal structure of AlkB protein with cofactors bound to dsDNA containing m6A
Descriptor: 2-OXOGLUTARIC ACID, 5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3', 5'-D(*TP*AP*GP*GP*TP*AP*AP*(6MA)P*AP*CP*CP*GP*T)-3', ...
Authors:Zhu, C.X, Yi, C.Q.
Deposit date:2013-11-06
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Switching Demethylation Activities between AlkB Family RNA/DNA Demethylases through Exchange of Active-Site Residues.
Angew.Chem.Int.Ed.Engl., 53, 2014
7C4D
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BU of 7c4d by Molmil
Marine microorganism esterase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Putative esterase, ...
Authors:Zhu, C.H, Wu, Y.K, Isupov, M.N.
Deposit date:2020-05-16
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Insights into a Novel Esterase from the East Pacific Rise and Its Improved Thermostability by a Semirational Design.
J.Agric.Food Chem., 69, 2021
7BUY
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BU of 7buy by Molmil
The crystal structure of COVID-19 main protease in complex with carmofur
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid
Authors:Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z.
Deposit date:2020-04-08
Release date:2020-04-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.
Nat.Struct.Mol.Biol., 27, 2020
7BZF
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BU of 7bzf by Molmil
COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ...
Authors:Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
Deposit date:2020-04-27
Release date:2020-06-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020

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