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7Y90
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BU of 7y90 by Molmil
Crystal Structure Analysis of cp1 bound BCL2
Descriptor: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide
Authors:Li, F.W.
Deposit date:2022-06-24
Release date:2023-11-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7YA5
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BU of 7ya5 by Molmil
Crystal structure analysis of cp1 bound BCL2/G101V
Descriptor: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide
Authors:Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
Deposit date:2022-06-27
Release date:2023-11-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7YB7
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BU of 7yb7 by Molmil
anti-apoptotic protein BCL-2-M12
Descriptor: Apoptosis regulator Bcl-2,Bcl-2-like protein 1, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide, cp2 peptide
Authors:Li, F.W, Liu, C, Wu, D.L.
Deposit date:2022-06-29
Release date:2023-11-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
6IEU
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BU of 6ieu by Molmil
The structure of TRIM66 PHD-Bromo domain with unmodified H3 N terminal peptide
Descriptor: ALA-ARG-THR-LYS-GLN-THR-ALA-ARG-LYS-SER-THR-GLY, GLYCEROL, Tripartite motif-containing protein 66, ...
Authors:Chen, J.
Deposit date:2018-09-17
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:TRIM66 reads unmodified H3R2K4 and H3K56ac to respond to DNA damage in embryonic stem cells.
Nat Commun, 10, 2019
7Y8D
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BU of 7y8d by Molmil
Crystal structure of cp1 bound BCLxl
Descriptor: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide
Authors:Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
Deposit date:2022-06-23
Release date:2023-11-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
5VQF
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BU of 5vqf by Molmil
Crystal Structure of pro-TGF-beta 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A.
Deposit date:2017-05-08
Release date:2017-11-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
6IET
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BU of 6iet by Molmil
The crystal structure of TRIM66 PHD-Bromo domain
Descriptor: Tripartite motif-containing protein 66, ZINC ION
Authors:Chen, J.
Deposit date:2018-09-17
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:TRIM66 reads unmodified H3R2K4 and H3K56ac to respond to DNA damage in embryonic stem cells.
Nat Commun, 10, 2019
3HTX
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BU of 3htx by Molmil
Crystal structure of small RNA methyltransferase HEN1
Descriptor: 5'-R(*GP*AP*UP*UP*UP*CP*UP*CP*UP*CP*UP*GP*CP*AP*AP*GP*CP*GP*AP*AP*AP*G)-3', 5'-R(P*UP*UP*CP*GP*CP*UP*UP*GP*CP*AP*GP*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*C)-3', HEN1, ...
Authors:Huang, Y, Ji, L.-J, Huang, Q.-C, Vassylyev, D.G, Chen, X.-M, Ma, J.-B.
Deposit date:2009-06-12
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into mechanisms of the small RNA methyltransferase HEN1.
Nature, 461, 2009
6IR2
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BU of 6ir2 by Molmil
Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM2 at 1.4 Angstron resolution
Descriptor: MCherry fluorescent protein, mCherry's nanobody LaM2
Authors:Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X.
Deposit date:2018-11-09
Release date:2019-11-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.393 Å)
Cite:Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry.
Protein Sci., 30, 2021
1WM7
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BU of 1wm7 by Molmil
Solution Structure of BmP01 from the Venom of Scorpion Buthus martensii Karsch, 9 structures
Descriptor: Neurotoxin BmP01
Authors:Wu, G, Li, Y, Wei, D, He, F, Jiang, S, Hu, G, Wu, H, Chen, X.
Deposit date:2004-07-05
Release date:2004-07-27
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Solution Structure of BmP01 from the Venom of Scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 276, 2000
8Y22
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BU of 8y22 by Molmil
FGFR1 kinase domain with a covalent inhibitor 9g
Descriptor: Fibroblast growth factor receptor 1, SULFATE ION, ~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2024-01-25
Release date:2024-06-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Eur.J.Med.Chem., 275, 2024
8XZ7
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BU of 8xz7 by Molmil
FGFR1 kinase domain with a covalent inhibitor 10h
Descriptor: 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2024-01-20
Release date:2024-06-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Eur.J.Med.Chem., 275, 2024
6IR1
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BU of 6ir1 by Molmil
Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM4 at 1.9 Angstron resolution
Descriptor: MCherry fluorescent protein, mCherry's nanobody LaM4
Authors:Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X.
Deposit date:2018-11-09
Release date:2019-11-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.919 Å)
Cite:Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry.
Protein Sci., 30, 2021
8K79
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BU of 8k79 by Molmil
Crystal structure of c-SRC kinase domain bound by TPX-0022
Descriptor: Elzovantinib, Proto-oncogene tyrosine-protein kinase Src
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2023-07-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src.
Comput Struct Biotechnol J, 21, 2023
8K78
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BU of 8k78 by Molmil
Crystal structure of cMET kinase domain bound by TPX-0022
Descriptor: Elzovantinib, Hepatocyte growth factor receptor
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2023-07-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src.
Comput Struct Biotechnol J, 21, 2023
5H65
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BU of 5h65 by Molmil
Crystal structure of human POT1 and TPP1
Descriptor: Adrenocortical dysplasia protein homolog, Protection of telomeres protein 1, ZINC ION
Authors:Chen, C, Wu, J, Lei, M.
Deposit date:2016-11-10
Release date:2017-05-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into POT1-TPP1 interaction and POT1 C-terminal mutations in human cancer.
Nat Commun, 8, 2017
8HLM
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BU of 8hlm by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 2)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Guo, M, Wang, H, Wei, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.522 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLL
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BU of 8hll by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 1)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Wei, H, Guo, M, Wang, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLN
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BU of 8hln by Molmil
Crystal structure of p53/BCL2 fusion complex(complex3)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Guo, M, Wei, H, Wang, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
5TTF
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BU of 5ttf by Molmil
Crystal structure of catalytic domain of G9a with MS012
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EHMT2, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ...
Authors:DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC)
Deposit date:2016-11-03
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TUY
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BU of 5tuy by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124
Descriptor: 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2016-11-07
Release date:2017-02-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TUZ
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BU of 5tuz by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor MS0124
Descriptor: 1,2-ETHANEDIOL, 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT1, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2016-11-07
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TTG
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BU of 5ttg by Molmil
Crystal structure of catalytic domain of GLP with MS012
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC)
Deposit date:2016-11-03
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
1WM8
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BU of 1wm8 by Molmil
Solution Structure of BmP03 from the Venom of Scorpion Buthus martensii Karsch, 10 structures
Descriptor: Neurotoxin BmP03
Authors:Wu, H, He, F, Li, Y, Wu, G, Cao, C, Chen, X.
Deposit date:2004-07-05
Release date:2004-07-27
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Three-Dimensional Structure of BmP03 from Venom of Scorpion Buthus martensii Karsch
Acta Chim.Sinica, 58, 2000
7WCX
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BU of 7wcx by Molmil
Crystal structure of FGFR4(V550M) kinase domain with 7v
Descriptor: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
Authors:Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H.
Deposit date:2021-12-20
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.175 Å)
Cite:Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022

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