4YAX
 
 | | Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g) | | Descriptor: | GLYCEROL, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, SULFATE ION, ... | | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | | Deposit date: | 2015-02-18 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
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1RWK
 | | Crystal structure of human caspase-1 in complex with 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid | | Descriptor: | 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Interleukin-1 beta convertase | | Authors: | Romanowski, M.J, Lam, J.W, Fahr, B.T, O'Brien, T. | | Deposit date: | 2003-12-16 | | Release date: | 2004-12-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
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3KYD
 | | Human SUMO E1~SUMO1-AMP tetrahedral intermediate mimic | | Descriptor: | 1,2-ETHANEDIOL, 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine, SUMO-activating enzyme subunit 1, ... | | Authors: | Lima, C.D. | | Deposit date: | 2009-12-05 | | Release date: | 2010-02-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Active site remodelling accompanies thioester bond formation in the SUMO E1.
Nature, 463, 2010
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5JCG
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5JD7
 | | PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with PET-cGMP | | Descriptor: | 3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one, cGMP-dependent protein kinase 1 | | Authors: | Campbell, J.C, Sankaran, B, Kim, C.W. | | Deposit date: | 2016-04-15 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
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3L1Z
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5J2C
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1RSO
 | | Hetero-tetrameric L27 (Lin-2, Lin-7) domain complexes as organization platforms of supra-molecular assemblies | | Descriptor: | Peripheral plasma membrane protein CASK, Presynaptic protein SAP97 | | Authors: | Feng, W, Long, J.-F, Fan, J.-S, Suetake, T, Zhang, M. | | Deposit date: | 2003-12-09 | | Release date: | 2004-05-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The tetrameric L27 domain complex as an organization platform for supramolecular assemblies
NAT.STRUCT.MOL.BIOL., 11, 2004
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5J2J
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4WWQ
 | | Apo structure of the Grb7 SH2 domain | | Descriptor: | Growth factor receptor-bound protein 7, MALONIC ACID | | Authors: | Watson, G.M, Ambaye, N.D, Wilce, M.C, Wilce, J.A. | | Deposit date: | 2014-11-12 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target.
J.Med.Chem., 58, 2015
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4WWW
 | | Crystal structure of the E. coli ribosome bound to CEM-101 | | Descriptor: | (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S rRNA, 23S rRNA, ... | | Authors: | Dunkle, J.A, Zhang, W, Cate, J.H.D, Mankin, A.S. | | Deposit date: | 2014-11-12 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Binding and action of CEM-101, a new fluoroketolide antibiotic that inhibits protein synthesis.
Antimicrob. Agents Chemother., 54, 2010
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1R79
 | | Solution Structure of The C1 Domain of The Human Diacylglycerol Kinase Delta | | Descriptor: | Diacylglycerol kinase, delta, ZINC ION | | Authors: | Miyamoto, K, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-10-21 | | Release date: | 2004-04-21 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of The C1 Domain of The Human Diacylglycerol Kinase Delta
To be Published
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4X6S
 | | Grb7 SH2 domain with phosphotyrosine mimetic inhibitor peptide | | Descriptor: | Growth factor receptor-bound protein 7, Phosphotyrosine mimetic inhibitor peptide G7-TEM1 | | Authors: | Watson, G.M, Panjikar, S, Wilce, M.C, Wilce, J.A. | | Deposit date: | 2014-12-09 | | Release date: | 2015-09-23 | | Last modified: | 2015-10-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target.
J.Med.Chem., 58, 2015
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3IVK
 | | Crystal Structure of the Catalytic Core of an RNA Polymerase Ribozyme Complexed with an Antigen Binding Antibody Fragment | | Descriptor: | CADMIUM ION, CHLORIDE ION, Fab heavy chain, ... | | Authors: | Koldobskaya, Y, Duguid, E.M, Shechner, D.M, Koide, S, Kossiakoff, A.A, Bartel, D.P, Piccirilli, J.A. | | Deposit date: | 2009-09-01 | | Release date: | 2010-03-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of the catalytic core of an RNA-polymerase ribozyme.
Science, 326, 2009
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1R4N
 | | APPBP1-UBA3-NEDD8, an E1-ubiquitin-like protein complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Ubiquitin-like protein NEDD8, ZINC ION, ... | | Authors: | Walden, H, Podgorski, M.S, Holton, J.M, Schulman, B.A. | | Deposit date: | 2003-10-07 | | Release date: | 2003-12-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The structure of the APPBP1-UBA3-NEDD8-ATP complex reveals the basis for selective ubiquitin-like protein activation by an E1.
Mol.Cell, 12, 2003
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1ANG
 | | CRYSTAL STRUCTURE OF HUMAN ANGIOGENIN REVEALS THE STRUCTURAL BASIS FOR ITS FUNCTIONAL DIVERGENCE FROM RIBONUCLEASE | | Descriptor: | ANGIOGENIN | | Authors: | Acharya, K.R, Allen, S, Shapiro, R, Riordan, J.F, Vallee, B.L. | | Deposit date: | 1994-01-18 | | Release date: | 1995-04-20 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human angiogenin reveals the structural basis for its functional divergence from ribonuclease.
Proc.Natl.Acad.Sci.USA, 91, 1994
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4X63
 | | Crystal structure of PRMT5:MEP50 with EPZ015666 and SAH | | Descriptor: | Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, Protein arginine N-methyltransferase 5, ... | | Authors: | Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-06 | | Release date: | 2015-04-22 | | Last modified: | 2015-05-27 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models.
Nat.Chem.Biol., 11, 2015
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5V71
 | | KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder | | Descriptor: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Westover, K, Lu, J. | | Deposit date: | 2017-03-17 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.228 Å) | | Cite: | KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry.
Structure, 25, 2017
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4X7J
 | | Co-crystal Structure of PERK with 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide inhibitor | | Descriptor: | 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID | | Authors: | Shaffer, P.L, Long, A.M, Chen, H. | | Deposit date: | 2014-12-09 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
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5JLE
 | | Crystal structure of SETD2 bound to SAH | | Descriptor: | Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Li, H, Yang, S, Zheng, X. | | Deposit date: | 2016-04-27 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase
Genes Dev., 30, 2016
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3IWW
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1A6Q
 | | CRYSTAL STRUCTURE OF THE PROTEIN SERINE/THREONINE PHOSPHATASE 2C AT 2 A RESOLUTION | | Descriptor: | MANGANESE (II) ION, PHOSPHATASE 2C, PHOSPHATE ION | | Authors: | Das, A.K, Helps, N.R, Cohen, P.T.W, Barford, D. | | Deposit date: | 1998-02-27 | | Release date: | 1998-05-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the protein serine/threonine phosphatase 2C at 2.0 A resolution.
EMBO J., 15, 1996
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5UQX
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5SZI
 | | Structure of human Rab8a in complex with the bMERB domain of Mical-cL | | Descriptor: | MAGNESIUM ION, MICAL C-terminal-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M. | | Deposit date: | 2016-08-14 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication.
Elife, 5, 2016
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4WO5
 | | Crystal structure of a BRAF kinase domain monomer | | Descriptor: | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Critton, D.A. | | Deposit date: | 2014-10-15 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Crystal structure of a BRAF kinase domain monomer explains basis for allosteric regulation.
Nat.Struct.Mol.Biol., 22, 2015
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