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4ZHE
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BU of 4zhe by Molmil
Crystal structure of the SeMet substituted Topless related protein 2 (TPR2) N-terminal domain (1-209) from rice
Descriptor: ASPR2 protein
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
5ZYT
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BU of 5zyt by Molmil
Crystal structure of human MGME1 with 3' overhang double strand DNA3
Descriptor: DNA (5'-D(P*CP*TP*TP*CP*TP*TP*CP*C)-3'), Mitochondrial genome maintenance exonuclease 1
Authors:Yang, C, Gan, J.
Deposit date:2018-05-28
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
6MNX
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BU of 6mnx by Molmil
Structural basis of impaired hydrolysis in KRAS Q61H mutant
Descriptor: GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:KRASQ61HPreferentially Signals through MAPK in a RAF Dimer-Dependent Manner in Non-Small Cell Lung Cancer.
Cancer Res., 80, 2020
5GPD
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BU of 5gpd by Molmil
Crystal structure of the binding domain of SREBP from fission yeast
Descriptor: Sterol regulatory element-binding protein 1
Authors:Gong, X, Qian, H.W, Wu, J.P, Yan, N.
Deposit date:2016-08-01
Release date:2016-11-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Complex structure of the fission yeast SREBP-SCAP binding domains reveals an oligomeric organization
Cell Res., 26, 2016
6INF
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BU of 6inf by Molmil
a glycosyltransferase complex with UDP
Descriptor: UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Zhu, X, Yang, T, Naismith, J.H.
Deposit date:2018-10-25
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6KHY
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BU of 6khy by Molmil
The crystal structure of AsfvAP:AG
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (AGCGTCACCGACGAGGC), DNA(AGCGTCACCGACGAGG), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2019-07-16
Release date:2020-06-03
Method:X-RAY DIFFRACTION (3.008 Å)
Cite:A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
3S5J
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BU of 3s5j by Molmil
2.0A Crystal structure of human phosphoribosyl pyrophosphate synthetase 1
Descriptor: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
Authors:Chen, P, Teng, M, Li, X.
Deposit date:2011-05-23
Release date:2012-05-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
5ZUG
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BU of 5zug by Molmil
Structure of the bacterial acetate channel SatP
Descriptor: Succinate-acetate/proton symporter SatP, nonyl beta-D-glucopyranoside
Authors:Sun, P.C, Li, J.L, Xiao, Q.J, Guan, Z.Y, Deng, D.
Deposit date:2018-05-07
Release date:2018-11-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Crystal structure of the bacterial acetate transporter SatP reveals that it forms a hexameric channel.
J. Biol. Chem., 293, 2018
8H95
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BU of 8h95 by Molmil
Structure of mouse SCMC bound with full-length FILIA
Descriptor: NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ...
Authors:Chi, P, Ou, G, Han, Z, Li, L, Deng, D.
Deposit date:2022-10-24
Release date:2024-01-10
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
7D0P
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BU of 7d0p by Molmil
Crystal structure of human HBO1-BRPF2 in complex with propionyl-coenzyme A
Descriptor: BRD1 protein, CHLORIDE ION, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0Q
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BU of 7d0q by Molmil
Crystal structure of human HBO1-BRPF2 in complex with butyryl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Butyryl Coenzyme A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0O
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BU of 7d0o by Molmil
Crystal structure of human HBO1-BRPF2 in apo form
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0R
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BU of 7d0r by Molmil
Crystal structure of human HBO1-BRPF2 in complex with crotonoyl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, CROTONYL COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0S
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BU of 7d0s by Molmil
Crystal structure of human HBO1-BRPF2 in complex with succinyl-coenzyme A
Descriptor: BRD1 protein, Histone acetyltransferase KAT7, SUCCINYL-COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
5C90
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BU of 5c90 by Molmil
Staphylococcus aureus ClpP mutant - Y63A
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit
Authors:Ye, F, Liu, H, Zhang, J, Gan, J, Yang, C.-G.
Deposit date:2015-06-26
Release date:2016-05-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure
Acs Chem.Biol., 11, 2016
7CNL
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BU of 7cnl by Molmil
Crystal structure of TEAD3 in complex with VT105
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide, ...
Authors:Tang, T.T, Konradi, A.W.
Deposit date:2020-08-01
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Small Molecule Inhibitors of TEAD Auto-palmitoylation Selectively Inhibit Proliferation and Tumor Growth of NF2 -deficient Mesothelioma.
Mol.Cancer Ther., 20, 2021
5IZ8
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BU of 5iz8 by Molmil
Protein-protein interaction
Descriptor: ACE-ALA-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein, TRIETHYLENE GLYCOL
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
6IIL
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BU of 6iil by Molmil
USP14 catalytic domain bind to IU1-47
Descriptor: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
Authors:Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W.
Deposit date:2018-10-07
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
4HXN
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BU of 4hxn by Molmil
Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor
Descriptor: 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4
Authors:Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXP
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BU of 4hxp by Molmil
Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor
Descriptor: 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide, Bromodomain-containing protein 4
Authors:Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
5IZA
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BU of 5iza by Molmil
Protein-protein interaction
Descriptor: ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2, Adenomatous polyposis coli protein
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
7TCT
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BU of 7tct by Molmil
Integrin alaphIIBbeta3 complex with UR2922
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2021-12-28
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7TD8
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BU of 7td8 by Molmil
Integrin alaphIIBbeta3 complex with Tirofiban
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2021-12-30
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
6OD5
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BU of 6od5 by Molmil
Human TCF4 C-terminal bHLH domain in Complex with 12-bp Oligonucleotide Containing E-box Sequence with 5-carboxylcytosines
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*AP*(1CC)P*GP*CP*AP*CP*GP*TP*GP*(1CC)P*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2019-03-25
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 47, 2019
7K7Q
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BU of 7k7q by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
Descriptor: 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2020-09-23
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021

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