8VTS
 
 | | Meis1 homeobox domain bound to paromomycin fragment | | Descriptor: | 1,2-ETHANEDIOL, Homeobox protein Meis1, ISOPROPYL ALCOHOL, ... | | Authors: | Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N. | | Deposit date: | 2024-01-27 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Identification of FDA-approved drugs that induce heart regeneration in mammals.
Nat Cardiovasc Res, 3, 2024
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4XHD
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1 | | Descriptor: | GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Khan, J.A, Camac, D.M. | | Deposit date: | 2015-01-05 | | Release date: | 2015-01-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
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5GJU
 | | DEAD-box RNA helicase | | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-dependent RNA helicase DeaD | | Authors: | Xu, L, Li, F, Wang, L, Shi, Y. | | Deposit date: | 2016-07-02 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
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6GTH
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | | Deposit date: | 2018-06-18 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
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3L95
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4FK3
 | | B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203 | | Descriptor: | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Zhang, Y, Wang, W, Zhang, K.Y.J. | | Deposit date: | 2012-06-12 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity.
Proc.Natl.Acad.Sci.USA, 105, 2008
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4JBA
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3ULI
 | | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | | Descriptor: | 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 | | Authors: | Larsen, N.A, Tucker, J.A, Wang, T. | | Deposit date: | 2011-11-10 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases.
Bioorg.Med.Chem.Lett., 22, 2012
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7T4E
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7T4D
 | | Pore structure of pore-forming toxin Epx4 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Epx4 | | Authors: | Xiong, X.Z, Dong, M, Yang, P, Abraham, J. | | Deposit date: | 2021-12-09 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Emerging enterococcus pore-forming toxins with MHC/HLA-I as receptors.
Cell, 185, 2022
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6AGF
 | | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N. | | Deposit date: | 2018-08-11 | | Release date: | 2018-10-10 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1.
Science, 362, 2018
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6DBS
 | | Fusion surface structure, function, and dynamics of gamete fusogen HAP2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hapless 2, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feng, J, Dong, X, Springer, T.A. | | Deposit date: | 2018-05-03 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Fusion surface structure, function, and dynamics of gamete fusogen HAP2.
Elife, 7, 2018
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3O3K
 | | Crystal structure of AF1382 from Archaeoglobus fulgidus | | Descriptor: | Uncharacterized protein AF_1382 | | Authors: | Zhu, J.-Y, Zhao, M, Fu, Z.-Q, Yang, H, Chang, J, Xu, H, Chen, L, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2010-07-24 | | Release date: | 2010-08-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Archaeoglobus fulgidus orphan ORF AF1382 determined by sulfur SAD from a moderately diffracting crystal.
Acta Crystallogr.,Sect.D, 68, 2012
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8ECG
 | | Complex of HMG1 with pitavastatin | | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1, GLYCEROL, Pitavastatin | | Authors: | Haywood, J, Bond, C.S. | | Deposit date: | 2022-09-01 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
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7OOM
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3OV8
 | | Crystal structure of AF1382 from Archaeoglobus fulgidus, High resolution | | Descriptor: | ACETATE ION, CHLORIDE ION, Protein AF_1382 | | Authors: | Zhu, J.-Y, Zhao, M, Fu, Z.-Q, Yang, H, Chang, J, Hao, X, Chen, L, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2010-09-16 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8501 Å) | | Cite: | Structure of the Archaeoglobus fulgidus orphan ORF AF1382 determined by sulfur SAD from a moderately diffracting crystal.
Acta Crystallogr.,Sect.D, 68, 2012
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5K4I
 | | Crystal Structure of ERK2 in complex with compound 22 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
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3P08
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5UKP
 | | Structure of unliganded anti-gp120 CD4bs antibody DH522.1 Fab | | Descriptor: | DH522.1 Fab fragment heavy chain, DH522.1 Fab fragment light chain | | Authors: | Nicely, N.I. | | Deposit date: | 2017-01-23 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations.
Nat Commun, 8, 2017
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5UKN
 | | Structure of unliganded anti-gp120 CD4bs antibody DH522UCA Fab | | Descriptor: | CHLORIDE ION, DH522UCA Fab fragment heavy chain, DH522UCA Fab fragment light chain | | Authors: | Nicely, N.I. | | Deposit date: | 2017-01-23 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations.
Nat Commun, 8, 2017
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7V12
 | | Factor XIa in Complex with Compound 2f | | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V0Z
 | | Factor XIa in Complex with Compound 2a | | Descriptor: | Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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6V6M
 | | Crystal structure of an inactive state of GMPPNP-bound RhoA | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Lin, Y, Zheng, Y. | | Deposit date: | 2019-12-05 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
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5UKO
 | | Structure of unliganded anti-gp120 CD4bs antibody DH522IA Fab | | Descriptor: | DH522IA Fab fragment heavy chain, DH522IA Fab fragment light chain | | Authors: | Nicely, N.I. | | Deposit date: | 2017-01-23 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations.
Nat Commun, 8, 2017
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7V10
 | | Factor XIa in Complex with Compound 2d | | Descriptor: | CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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