7MSA
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![BU of 7msa by Molmil](/molmil-images/mine/7msa) | GDC-9545 in complex with estrogen receptor alpha | Descriptor: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zbieg, J.R, Wang, X, Ortwine, D.F. | Deposit date: | 2021-05-10 | Release date: | 2021-06-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer. J.Med.Chem., 64, 2021
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4WY4
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![BU of 4wy4 by Molmil](/molmil-images/mine/4wy4) | Crystal structure of autophagic SNARE complex | Descriptor: | Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8 | Authors: | Zhao, M, Brunger, A.T. | Deposit date: | 2014-11-15 | Release date: | 2015-02-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | ATG14 promotes membrane tethering and fusion of autophagosomes to endolysosomes. Nature, 520, 2015
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6OQI
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![BU of 6oqi by Molmil](/molmil-images/mine/6oqi) | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | Descriptor: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | Authors: | Murray, J.M. | Deposit date: | 2019-04-26 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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6A0Z
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![BU of 6a0z by Molmil](/molmil-images/mine/6a0z) | Crystal structure of broadly neutralizing antibody 13D4 bound to H5N1 influenza hemagglutinin, HA head region | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 13D4, Fab Heavy Chain, ... | Authors: | Li, S, Li, T. | Deposit date: | 2018-06-06 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.329 Å) | Cite: | Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus. J. Virol., 92, 2018
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4XIZ
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![BU of 4xiz by Molmil](/molmil-images/mine/4xiz) | Structure of a phospholipid trafficking complex with substrate | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, Mitochondrial distribution and morphology protein 35, Protein UPS1, ... | Authors: | Yu, F, He, F, Wang, C, Zhang, P. | Deposit date: | 2015-01-08 | Release date: | 2015-07-01 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of intramitochondrial phosphatidic acid transport mediated by Ups1-Mdm35 complex Embo Rep., 16, 2015
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4F8E
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![BU of 4f8e by Molmil](/molmil-images/mine/4f8e) | Crystal structure of human PRS1 D52H mutant | Descriptor: | MAGNESIUM ION, Ribose-phosphate pyrophosphokinase 1, SULFATE ION | Authors: | Chen, P, Teng, M, Li, X. | Deposit date: | 2012-05-17 | Release date: | 2013-05-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | A small disturbance, but a serious disease: the possible mechanism of D52H-mutant of human PRS1 that causes gout Iubmb Life, 65, 2013
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6A0X
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![BU of 6a0x by Molmil](/molmil-images/mine/6a0x) | Crystal structure of broadly neutralizing antibody 13D4 | Descriptor: | Antibody 13D4, Fab Heavy Chain, Fab Light Chain | Authors: | Li, S, Li, T. | Deposit date: | 2018-06-06 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus. J. Virol., 92, 2018
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4HXP
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![BU of 4hxp by Molmil](/molmil-images/mine/4hxp) | 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
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4HXO
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![BU of 4hxo by Molmil](/molmil-images/mine/4hxo) | Brd4 Bromodomain 1 complex with 3-{[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]SULFANYL}[1,2,4]TRIAZOLO[4,3-A]PYRIDINE inhibitor | Descriptor: | 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine, 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 (1.76 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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7E3O
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![BU of 7e3o by Molmil](/molmil-images/mine/7e3o) | |
4HVB
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![BU of 4hvb by Molmil](/molmil-images/mine/4hvb) | Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064 | Descriptor: | 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Knighton, D.R, Cheng, H. | Deposit date: | 2012-11-05 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design. ACS Med Chem Lett, 4, 2013
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7BZG
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![BU of 7bzg by Molmil](/molmil-images/mine/7bzg) | Structure of Bacillus subtilis HxlR, wild type in complex with formaldehyde and DNA | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*AP*GP*TP*AP*TP*CP*CP*TP*CP*GP*AP*GP*GP*AP*TP*AP*CP*TP*G)-3'), ... | Authors: | Zhu, R, Chen, P.R. | Deposit date: | 2020-04-27 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction. Nat Commun, 12, 2021
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5C90
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![BU of 5c90 by Molmil](/molmil-images/mine/5c90) | 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
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7BZD
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![BU of 7bzd by Molmil](/molmil-images/mine/7bzd) | Structure of Bacillus subtilis HxlR, wild type | Descriptor: | HTH-type transcriptional activator HxlR | Authors: | Zhu, R, Chen, P.R. | Deposit date: | 2020-04-27 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.612 Å) | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction. Nat Commun, 12, 2021
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7BZE
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![BU of 7bze by Molmil](/molmil-images/mine/7bze) | Structure of Bacillus subtilis HxlR, K13A mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, HTH-type transcriptional activator HxlR | Authors: | Zhu, R, Chen, P.R. | Deposit date: | 2020-04-27 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction. Nat Commun, 12, 2021
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5GPD
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![BU of 5gpd by Molmil](/molmil-images/mine/5gpd) | |
8HDJ
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![BU of 8hdj by Molmil](/molmil-images/mine/8hdj) | |
8HER
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![BU of 8her by Molmil](/molmil-images/mine/8her) | |
8HEP
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![BU of 8hep by Molmil](/molmil-images/mine/8hep) | |
8HEQ
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![BU of 8heq by Molmil](/molmil-images/mine/8heq) | |
5DJ5
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![BU of 5dj5 by Molmil](/molmil-images/mine/5dj5) | Crystal structure of rice DWARF14 in complex with synthetic strigolactone GR24 | Descriptor: | (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one, Probable strigolactone esterase D14 | Authors: | Zhou, X.E, Zhao, L.-H, Yi, W, Wu, Z.-S, Liu, Y, Kang, Y, Hou, L, de Waal, P.W, Li, S, Jiang, Y, Melcher, K, Xu, H.E. | Deposit date: | 2015-09-01 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Destabilization of strigolactone receptor DWARF14 by binding of ligand and E3-ligase signaling effector DWARF3. Cell Res., 25, 2015
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7EAM
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![BU of 7eam by Molmil](/molmil-images/mine/7eam) | immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ... | Authors: | Li, T.T, Gu, Y, Li, S.W. | Deposit date: | 2021-03-07 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants. Nat Commun, 12, 2021
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7EAX
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![BU of 7eax by Molmil](/molmil-images/mine/7eax) | Crystal complex of p53-V272M and antimony ion | Descriptor: | ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION | Authors: | Lu, M, Tang, Y. | Deposit date: | 2021-03-08 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations. Cell Rep, 39, 2022
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6L5M
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![BU of 6l5m by Molmil](/molmil-images/mine/6l5m) | Crystal structure of human DEAD-box RNA helicase DDX21 in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Nucleolar RNA helicase 2 | Authors: | Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X. | Deposit date: | 2019-10-24 | Release date: | 2020-06-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation. Adv Sci, 7, 2020
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2A0M
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![BU of 2a0m by Molmil](/molmil-images/mine/2a0m) | |