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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
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
5ZOV
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BU of 5zov by Molmil
Inward-facing conformation of L-ascorbate transporter UlaA
Descriptor: ASCORBIC ACID, CALCIUM ION, PTS ascorbate-specific subunit IIBC
Authors:Wang, J.W.
Deposit date:2018-04-16
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.333 Å)
Cite:Inward-facing conformation of l-ascorbate transporter suggests an elevator mechanism
Cell Discov, 4, 2018
6A58
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BU of 6a58 by Molmil
Structure of histone demethylase REF6
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
6A57
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BU of 6a57 by Molmil
Structure of histone demethylase REF6 complexed with DNA
Descriptor: DNA (5'-D(*CP*TP*TP*TP*CP*TP*CP*TP*GP*TP*TP*TP*TP*GP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*AP*AP*AP*AP*CP*AP*GP*AP*GP*AP*AP*A)-3'), GLYCEROL, ...
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
6A59
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BU of 6a59 by Molmil
Structure of histone demethylase REF6 at 1.8A
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
2P5B
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BU of 2p5b by Molmil
The complex structure of JMJD2A and trimethylated H3K36 peptide
Descriptor: FE (II) ION, Histone H3, JmjC domain-containing histone demethylation protein 3A, ...
Authors:Zhang, G, Chen, Z, Zang, J, Hong, X, Shi, Y.
Deposit date:2007-03-14
Release date:2007-06-12
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis of the recognition of a methylated histone tail by JMJD2A.
Proc.Natl.Acad.Sci.USA, 104, 2007
2PXJ
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BU of 2pxj by Molmil
The complex structure of JMJD2A and monomethylated H3K36 peptide
Descriptor: FE (II) ION, JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, ...
Authors:Chen, Z, Zang, J, Kappler, J, Hong, X, Crawford, F, Zhang, G.
Deposit date:2007-05-14
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the recognition of a methylated histone tail by JMJD2A
Proc.Natl.Acad.Sci.Usa, 104, 2007
6JPJ
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BU of 6jpj by Molmil
Crystal structure of FGF401 in complex of FGFR4
Descriptor: Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION
Authors:Zhou, Z, Chen, X, Chen, Y.
Deposit date:2019-03-27
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.638 Å)
Cite:Characterization of FGF401 as a reversible covalent inhibitor of fibroblast growth factor receptor 4.
Chem.Commun.(Camb.), 55, 2019
7E5E
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BU of 7e5e by Molmil
Crystal structure of GDP-bound GNAS in complex with the cyclic peptide inhibitor GD20
Descriptor: CHLORIDE ION, GD20, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Hu, Q, Dai, S, Shokat, K.M.
Deposit date:2021-02-18
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:State-selective modulation of heterotrimeric G alpha s signaling with macrocyclic peptides.
Cell, 185, 2022
7WOI
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BU of 7woi by Molmil
Structure of the shaft pilin Spa2 from Corynebacterium glutamicum
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Spa2
Authors:Wu, Y.F, Wang, L.T, Huang, Y.Y, Zhong, C, Zhou, J.
Deposit date:2022-01-21
Release date:2023-01-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Accelerating the design of pili-enabled living materials using an integrative technological workflow.
Nat.Chem.Biol., 2023
7FJ2
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BU of 7fj2 by Molmil
Structure of FOXM1 homodimer bound to a palindromic DNA site
Descriptor: DNA (5'-D(*AP*CP*CP*GP*TP*AP*AP*AP*CP*AP*TP*GP*TP*TP*TP*AP*CP*GP*GP*T)-3'), Forkhead box protein M1
Authors:Dai, S.Y, Li, J, Zhang, H.J.
Deposit date:2021-08-02
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Mechanistic Insights into the Preference for Tandem Binding Sites in DNA Recognition by FOXM1.
J.Mol.Biol., 434, 2021
7D4B
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BU of 7d4b by Molmil
Crystal structure of 4-1BB in complex with a VHH
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Wang, C.
Deposit date:2020-09-23
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
7CZD
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BU of 7czd by Molmil
Crystal structure of PD-L1 in complex with a VHH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Programmed cell death 1 ligand 1, ...
Authors:Wang, C.
Deposit date:2020-09-08
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
7D5O
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BU of 7d5o by Molmil
C-Src in complex with TAS-120
Descriptor: 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2020-09-27
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
7D57
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BU of 7d57 by Molmil
C-Src in complex with FIIN-2
Descriptor: N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Chen, Y.H, Qu, L.Z.
Deposit date:2020-09-25
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
8J54
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BU of 8j54 by Molmil
Crystal structure of RXR/DR2 complex
Descriptor: DNA (5'-D(*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Retinoic acid receptor RXR, ...
Authors:Chen, Y, Jiang, L.
Deposit date:2023-04-21
Release date:2024-01-17
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
8JMZ
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BU of 8jmz by Molmil
FGFR1 kinase domain with sulfatinib
Descriptor: Fibroblast growth factor receptor 1, GLYCEROL, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide, ...
Authors:Chen, X.J, Lin, Q.M, Chen, Y.H.
Deposit date:2023-06-05
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Commun Chem, 7, 2024
8JOT
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BU of 8jot by Molmil
Crystal structure of CSF-1R kinase domain with sulfatinib
Descriptor: GLYCEROL, Macrophage colony-stimulating factor 1 receptor, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-06-08
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Commun Chem, 7, 2024
4YK9
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BU of 4yk9 by Molmil
Complex structure of BCL-XL and mutated BIM BH3 domain
Descriptor: ACETATE ION, BH3BIM, Bcl-2-like protein 1, ...
Authors:Ha, N.C, Kim, J.S.
Deposit date:2015-03-04
Release date:2016-04-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Complex structure of BCL-XL and mutated BIM BH3 domain
To be published
7VJS
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BU of 7vjs by Molmil
Human AlkB homolog ALKBH6 in complex with Tris and Ni
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-ketoglutarate-dependent dioxygenase alkB homolog 6, NICKEL (II) ION
Authors:Ma, L, Chen, Z.
Deposit date:2021-09-28
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Structural insights into the interactions and epigenetic functions of human nucleic acid repair protein ALKBH6.
J.Biol.Chem., 298, 2022
7VJV
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BU of 7vjv by Molmil
Human AlkB homolog ALKBH6 in complex with alpha-katoglutarate and Mn
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB homolog 6, MANGANESE (II) ION
Authors:Ma, L, Chen, Z.
Deposit date:2021-09-29
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the interactions and epigenetic functions of human nucleic acid repair protein ALKBH6.
J.Biol.Chem., 298, 2022
7WCL
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BU of 7wcl by Molmil
Crystal structure of FGFR1 kinase domain with Pemigatinib
Descriptor: 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H.
Deposit date:2021-12-20
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants.
Commun Chem, 5, 2022
7X4X
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BU of 7x4x by Molmil
BTB domain of KEAP1 in complex with MEF
Descriptor: 4-ethoxy-4-oxobutanoic acid, Kelch-like ECH-associated protein 1
Authors:Qu, L.Z.
Deposit date:2022-03-03
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
7X4W
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BU of 7x4w by Molmil
Crystal structure of Keap1 BTB domain in complex with dimethyl fumarate (DMF)
Descriptor: Dimethyl fumarate, Kelch-like ECH-associated protein 1
Authors:Qu, L.Z.
Deposit date:2022-03-03
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.209 Å)
Cite:Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022

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