6MHR
 
 | | Structure of the human 4-1BB / Urelumab Fab complex | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ... | | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | | Deposit date: | 2018-09-18 | | Release date: | 2018-11-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
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6MI2
 | | Structure of the human 4-1BB / Utomilumab Fab complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | | Deposit date: | 2018-09-19 | | Release date: | 2018-11-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
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6FKF
 | | Chloroplast F1Fo conformation 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ... | | Authors: | Hahn, A, Vonck, J, Mills, D.J, Meier, T, Kuehlbrandt, W. | | Deposit date: | 2018-01-24 | | Release date: | 2018-05-23 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure, mechanism, and regulation of the chloroplast ATP synthase.
Science, 360, 2018
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6BNN
 | | Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P4(1)2(1)2 | | Descriptor: | COBALT (II) ION, FORMIC ACID, GLUTATHIONE, ... | | Authors: | Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S. | | Deposit date: | 2017-11-17 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays.
Febs J., 286, 2019
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6FK4
 | | Structure of 3' phosphatase NExo (WT) from Neisseria bound to DNA substrate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(P*GP*CP*TP*AP*GP*CP*GP*AP*AP*GP*CP*TP*AP*GP*A)-3'), Exodeoxyribonuclease III | | Authors: | Silhan, J, Zhao, Q, Boura, E, Thomson, H, Foster, A, Tang, C.M, Freemont, P.S, Baldwin, G.S. | | Deposit date: | 2018-01-23 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Structural basis for recognition and repair of the 3'-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis.
Nucleic Acids Res., 46, 2018
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6MIA
 | | Crystal structure of CTX-M-14 with compound 6 | | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-19 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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5V9U
 | | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | | Authors: | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | | Deposit date: | 2017-03-23 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
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8P9K
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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7QEV
 | | human Connexin 26 at 55mm Hg PCO2, pH7.4:two masked subunits, class D | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | Deposit date: | 2021-12-03 | | Release date: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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6MJT
 | | Azurin 122F/124W/126Re | | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | | Authors: | Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D. | | Deposit date: | 2018-09-21 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.
ACS Cent Sci, 5, 2019
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3JVA
 | | Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 | | Descriptor: | Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Imker, H, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-09-16 | | Release date: | 2010-08-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6C34
 | | Mycobacterium smegmatis DNA flap endonuclease mutant D125N | | Descriptor: | 5'-3' exonuclease, MANGANESE (II) ION | | Authors: | Shuman, S, Goldgur, Y, Carl, A, Uson, M.L. | | Deposit date: | 2018-01-09 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and mutational analysis of Mycobacterium smegmatis FenA highlight active site amino acids and three metal ions essential for flap endonuclease and 5' exonuclease activities.
Nucleic Acids Res., 46, 2018
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8P9J
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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6MJP
 | | LptB(E163Q)FGC from Vibrio cholerae | | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, 6-cyclohexylhexyl beta-D-glucopyranoside, ABC transporter ATP-binding protein, ... | | Authors: | Owens, T.W, Kahne, D, Kruse, A.C. | | Deposit date: | 2018-09-21 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural basis of unidirectional export of lipopolysaccharide to the cell surface.
Nature, 567, 2019
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4RN6
 | | Structure of prethrombin-2 mutant s195a bound to the active site inhibitor argatroban | | Descriptor: | (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid, Thrombin heavy chain | | Authors: | Pozzi, N, Chen, Z, Zapata, F, Niu, W, Barranco-Medina, S, Pelc, L.A, Di Cera, E. | | Deposit date: | 2014-10-23 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Autoactivation of thrombin precursors.
J.Biol.Chem., 288, 2013
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5UK8
 | | The co-structure of (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine and a rationally designed PI3K-alpha mutant that mimics ATR | | Descriptor: | (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Knapp, M.S, Mamo, M, Elling, R.A. | | Deposit date: | 2017-01-20 | | Release date: | 2017-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
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7AG0
 | | Complex between the bone morphogenetic protein 2 and its antagonist Noggin | | Descriptor: | Bone morphogenetic protein 2, GLYCEROL, Noggin | | Authors: | Robert, C, Bruck, F, Herman, R, Vandevenne, M, Filee, P, Kerff, F, Matagne, A. | | Deposit date: | 2020-09-21 | | Release date: | 2022-04-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.104 Å) | | Cite: | Structural analysis of the interaction between human cytokine BMP-2 and the antagonist Noggin reveals molecular details of cell chondrogenesis inhibition.
J.Biol.Chem., 299, 2023
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8P9F
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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6SLD
 | | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol | | Descriptor: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CRAL-TRIO domain-containing protein YKL091C | | Authors: | Berger, J, Fitz, M, Johnen, P, Shanmugaratnam, S, Hocker, B, Stiel, A.C, Schaaf, G. | | Deposit date: | 2019-08-19 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol
To Be Published
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5HB8
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8P9L
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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6GU3
 | | CDK1/CyclinB/Cks2 in complex with AZD5438 | | Descriptor: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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5V3G
 | | PRDM9-allele-C ZnF8-13 | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*CP*AP*AP*CP*GP*CP*TP*CP*AP*CP*TP*GP*GP*GP*GP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*CP*CP*CP*CP*AP*GP*TP*GP*AP*GP*CP*GP*TP*TP*GP*CP*CP*C)-3'), PR domain zinc finger protein 9, ... | | Authors: | Patel, A, Cheng, X. | | Deposit date: | 2017-03-07 | | Release date: | 2017-08-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.416 Å) | | Cite: | Structural basis of human PR/SET domain 9 (PRDM9) allele C-specific recognition of its cognate DNA sequence.
J. Biol. Chem., 292, 2017
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6GX6
 | | Crystal structure of IMP3 RRM12 in complex with RNA (ACAC) | | Descriptor: | 1,2-ETHANEDIOL, Insulin-like growth factor 2 mRNA-binding protein 3, PHOSPHATE ION, ... | | Authors: | Jia, M, Gut, H, Chao, A.J. | | Deposit date: | 2018-06-26 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of IMP3 RRM12 recognition of RNA.
RNA, 24, 2018
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7QWZ
 | | Full capsid of Saccharomyces cerevisiae virus L-BCLa | | Descriptor: | Major capsid protein | | Authors: | Grybchuk, D, Prochazkova, M, Fuzik, T, Konovalovas, A, Serva, S, Yurchenko, V, Plevka, P. | | Deposit date: | 2022-01-26 | | Release date: | 2022-09-07 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structures of L-BC virus and its open particle provide insight into Totivirus capsid assembly.
Commun Biol, 5, 2022
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