2HKH
 
 | | Crystal structure of the Fab M75 | | Descriptor: | GLYCEROL, Immunoglobulin Heavy chain Fab fragment, Immunoglobulin Light chain Fab fragment | | Authors: | Kral, V, Mader, P, Stouracova, R, Fabry, M, Sedlacek, J, Brynda, J. | | Deposit date: | 2006-07-04 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations.
Proteins, 71, 2008
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3S92
 | | Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1 | | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 3 | | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-05-31 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
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2QHC
 | | The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir | | Descriptor: | BETA-MERCAPTOETHANOL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN | | Authors: | Brynda, J, Saskova, K.G, Kozisek, M, Lepsik, M, Machala, L, Konvalinka, J. | | Deposit date: | 2007-07-02 | | Release date: | 2008-07-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir.
Protein Sci., 17, 2008
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4EY4
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in the Apo state | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.156 Å) | | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
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5VIO
 | | Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) | | Descriptor: | 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 5 | | Authors: | Jasti, J, Chang, J, Kurumbail, R. | | Deposit date: | 2017-04-17 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
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2HR6
 | | Crystal structure of dUTPase in complex with substrate analogue dUDP and manganese | | Descriptor: | 1,2-ETHANEDIOL, DEOXYURIDINE-5'-DIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Barabas, O, Kovari, J, Tapai, R, Vertessy, B.G. | | Deposit date: | 2006-07-19 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Methylene substitution at the alpha-beta bridging position within the phosphate chain of dUDP profoundly perturbs ligand accommodation into the dUTPase active site.
Proteins, 71, 2008
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4EY7
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Donepezil | | Descriptor: | 1,2-ETHANEDIOL, 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3509 Å) | | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
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4F1P
 | | Crystal Structure of mutant S554D for ArfGAP and ANK repeat domain of ACAP1 | | Descriptor: | Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1, SULFATE ION, ... | | Authors: | Sun, F, Pang, X, Zhang, K, Ma, J, Zhou, Q. | | Deposit date: | 2012-05-07 | | Release date: | 2012-07-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanistic insights into regulated cargo binding by ACAP1 protein
J.Biol.Chem., 287, 2012
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4NNI
 | | Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide | | Descriptor: | 30S ribosomal protein S1, PYRAZINE-2-CARBOXYLIC ACID | | Authors: | Yang, J, Liu, Y, Cai, Q, Lin, D. | | Deposit date: | 2013-11-18 | | Release date: | 2014-12-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
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3OK8
 | | I-BAR OF PinkBAR | | Descriptor: | Brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 2, GLYCEROL | | Authors: | Boczkowska, M, Rebowski, G, Saarikangas, J, Lappalainen, P, Dominguez, R. | | Deposit date: | 2010-08-24 | | Release date: | 2011-07-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Pinkbar is an epithelial-specific BAR domain protein that generates planar membrane structures.
Nat.Struct.Mol.Biol., 18, 2011
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3PAL
 | | IONIC INTERACTIONS WITH PARVALBUMINS. CRYSTAL STRUCTURE DETERMINATION OF PIKE 4.10 PARVALBUMIN IN FOUR DIFFERENT IONIC ENVIRONMENTS | | Descriptor: | CALCIUM ION, MAGNESIUM ION, PARVALBUMIN | | Authors: | Declercq, J.P, Tinant, B, Parello, J, Rambaud, J. | | Deposit date: | 1990-11-08 | | Release date: | 1992-01-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ionic interactions with parvalbumins. Crystal structure determination of pike 4.10 parvalbumin in four different ionic environments.
J.Mol.Biol., 220, 1991
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4O0U
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3EQ3
 | | Model of tRNA(Trp)-EF-Tu in the ribosomal pre-accommodated state revealed by cryo-EM | | Descriptor: | 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ... | | Authors: | Frank, J, Li, W, Agirrezabala, X. | | Deposit date: | 2008-09-30 | | Release date: | 2008-12-16 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM.
Embo J., 27, 2008
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3PJ8
 | | Structure of CDK2 in complex with a Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine. | | Descriptor: | (2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol, Cell division protein kinase 2 | | Authors: | McNae, I.W, Jorda, R, Havlicek, L, Strnad, M, Voller, J, Walkinshaw, M.D, Krystof, V. | | Deposit date: | 2010-11-09 | | Release date: | 2011-04-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine: Evaluation of a Novel Selective Inhibitor of Cyclin-Dependent Kinases with Antiproliferative Activity.
J.Med.Chem., 54, 2011
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3Q96
 | | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | | Descriptor: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Sintchak, M.D, Aertgeerts, K, Yano, J. | | Deposit date: | 2011-01-07 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
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2HRM
 | | Crystal structure of dUTPase complexed with substrate analogue methylene-dUTP | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase | | Authors: | Barabas, O, Kovari, J, Tapai, R, Vertessy, B.G. | | Deposit date: | 2006-07-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Methylene substitution at the alpha-beta bridging position within the phosphate chain of dUDP profoundly perturbs ligand accommodation into the dUTPase active site.
Proteins, 71, 2008
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3PSR
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1LZQ
 | | Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with an ethylenamine peptidomimetic inhibitor BOC-PHE-PSI[CH2CH2NH]-PHE-GLU-PHE-NH2 | | Descriptor: | BETA-MERCAPTOETHANOL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | | Authors: | Skalova, T, Hasek, J, Dohnalek, J, Petrokova, H, Buchtelova, E, Soucek, M, Majer, P, Uhlikova, T, Konvalinka, J. | | Deposit date: | 2002-06-11 | | Release date: | 2003-04-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An Ethylenamine Inhibitor Binds Tightly to Both Wild Type and Mutant HIV-1 Proteases. Structure and Energy Study
J.Med.Chem., 46, 2003
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2MOX
 | | solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1 | | Descriptor: | Sorbin and SH3 domain-containing protein 1 | | Authors: | Zhao, D, Wang, C, Zhang, J, Wu, J, Shi, Y, Zhang, Z, Gong, Q. | | Deposit date: | 2014-05-07 | | Release date: | 2014-05-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
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2QUR
 | | Crystal Structure of F327A/K285P Mutant of cAMP-dependent Protein Kinase | | Descriptor: | 20-mer fragment from cAMP-dependent protein kinase inhibitor alpha, ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase, ... | | Authors: | Taylor, S.S, Yang, J, Wu, J. | | Deposit date: | 2007-08-06 | | Release date: | 2008-07-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Contribution of non-catalytic core residues to activity and regulation in protein kinase A.
J.Biol.Chem., 284, 2009
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5DR1
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1VSC
 | | VCAM-1 | | Descriptor: | VASCULAR CELL ADHESION MOLECULE-1 | | Authors: | Wang, J, Stehle, T, Osborn, L. | | Deposit date: | 1995-04-27 | | Release date: | 1996-06-20 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of an N-terminal two-domain fragment of vascular cell adhesion molecule 1 (VCAM-1): a cyclic peptide based on the domain 1 C-D loop can inhibit VCAM-1-alpha 4 integrin interaction.
Proc.Natl.Acad.Sci.USA, 92, 1995
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1VSJ
 | | ASV INTEGRASE CORE DOMAIN WITH CD(II) COFACTORS | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, INTEGRASE | | Authors: | Bujacz, G, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1997-03-04 | | Release date: | 1997-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity.
J.Biol.Chem., 272, 1997
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1VSI
 | | ASV INTEGRASE CORE DOMAIN WITH CA(II) COFACTOR | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, INTEGRASE | | Authors: | Bujacz, G, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1997-03-04 | | Release date: | 1997-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity.
J.Biol.Chem., 272, 1997
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2YDZ
 | | X-ray structure of the cyan fluorescent protein SCFP3A (K206A mutant) | | Descriptor: | GREEN FLUORESCENT PROTEIN | | Authors: | von Stetten, D, Goedhart, J, Noirclerc-Savoye, M, Lelimousin, M, Joosen, L, Hink, M.A, van Weeren, L, Gadella, T.W.J, Royant, A. | | Deposit date: | 2011-03-25 | | Release date: | 2012-03-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure-Guided Evolution of Cyan Fluorescent Proteins Towards a Quantum Yield of 93%
Nat.Commun, 3, 2012
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