3UZC
 
 | | Thermostabilised Adenosine A2A receptor in complex with 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol | | Descriptor: | 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine A2A Receptor | | Authors: | Congreve, M, Andrews, S.P, Dore, A.S, Hollenstein, K, Hurrell, E, Langmead, C.J, Mason, J.S, Ng, I.W, Zhukov, A, Weir, M, Marshall, F.H. | | Deposit date: | 2011-12-07 | | Release date: | 2012-03-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.341 Å) | | Cite: | Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
J.Med.Chem., 55, 2012
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4CKR
 | | Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2014-01-07 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
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1M40
 | | ULTRA HIGH RESOLUTION CRYSTAL STRUCTURE OF TEM-1 | | Descriptor: | BETA-LACTAMASE TEM, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, ... | | Authors: | Minasov, G, Wang, X, Shoichet, B.K. | | Deposit date: | 2002-07-01 | | Release date: | 2002-07-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | An ultrahigh resolution structure of TEM-1 beta-lactamase suggests a role for Glu166 as the general base in acylation.
J.Am.Chem.Soc., 124, 2002
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3UYT
 | | crystal structure of ck1d with PF670462 from P1 crystal form | | Descriptor: | 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine, Casein kinase I isoform delta, SULFATE ION | | Authors: | Huang, X. | | Deposit date: | 2011-12-06 | | Release date: | 2012-01-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor.
J.Med.Chem., 55, 2012
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4NEU
 | | X-ray structure of Receptor Interacting Protein 1 (RIP1)kinase domain with a 1-aminoisoquinoline inhibitor | | Descriptor: | 1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea, MAGNESIUM ION, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Nolte, R.T, Ward, P, kahler, K.M, Campobasso, N. | | Deposit date: | 2013-10-30 | | Release date: | 2013-11-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis.
ACS Med Chem Lett, 4, 2013
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3FD0
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3MFC
 | | Computationally designed end0-1,4-beta,xylanase | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | | Authors: | Morin, A, Harp, J.M. | | Deposit date: | 2010-04-01 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Computational design of an endo-1,4-{beta}-xylanase ligand binding site.
Protein Eng.Des.Sel., 24, 2011
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3MF6
 | | Computationally designed endo-1,4-beta-xylanase | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | | Authors: | Morin, A, Harp, J.M. | | Deposit date: | 2010-04-01 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Computational design of an endo-1,4-{beta}-xylanase ligand binding site.
Protein Eng.Des.Sel., 24, 2011
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3FKA
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3MFA
 | | Computationally designed endo-1,4-beta-xylanase | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | | Authors: | Morin, A, Harp, J.M. | | Deposit date: | 2010-04-01 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Computational design of an endo-1,4-{beta}-xylanase ligand binding site.
Protein Eng.Des.Sel., 24, 2011
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1QCP
 | | CRYSTAL STRUCTURE OF THE RWJ-51084 BOVINE PANCREATIC BETA-TRYPSIN AT 1.8 A | | Descriptor: | CALCIUM ION, CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE, PROTEIN (BETA-TRYPSIN PROTEIN) | | Authors: | Recacha, R, Carson, M, Costanzo, M.J, Maryanoff, B, Chattopadhyay, D. | | Deposit date: | 1999-05-10 | | Release date: | 1999-05-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the RWJ-51084-bovine pancreatic beta-trypsin complex at 1.8 A.
Acta Crystallogr.,Sect.D, 55, 1999
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3UH4
 | | TANKYRASE-1 complexed with NVP-XAV939 | | Descriptor: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, SULFATE ION, ... | | Authors: | Stams, T, Kirby, C. | | Deposit date: | 2011-11-03 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of human tankyrase 1 in complex with small-molecule inhibitors PJ34 and XAV939.
Acta Crystallogr.,Sect.F, 68, 2012
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4HHH
 | | Structure of Pisum sativum Rubisco | | Descriptor: | RIBULOSE-1,5-DIPHOSPHATE, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain | | Authors: | Loewen, P.C, Didychuk, A.L, Switala, J, Loewen, M.C. | | Deposit date: | 2012-10-09 | | Release date: | 2012-10-31 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Pisum sativum Rubisco with bound ribulose 1,5-bisphosphate.
Acta Crystallogr.,Sect.F, 69, 2013
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3UPZ
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4KXP
 | | Crystal Structure of AMP complexes of Porcine Liver Fructose-1,6-bisphosphatase Mutant I10D in T-state | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Iancu, C.V, Mukund, S, Choe, J.-Y, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2013-05-27 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanism of Displacement of a Catalytically Essential Loop from the Active Site of Mammalian Fructose-1,6-bisphosphatase.
Biochemistry, 52, 2013
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3DCZ
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1LEV
 | | PORCINE KIDNEY FRUCTOSE-1,6-BISPHOSPHATASE COMPLEXED WITH AN AMP-SITE INHIBITOR | | Descriptor: | 3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID, 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, ... | | Authors: | Wright, S.W, Carlo, A.A, Danley, D.E, Hageman, D.L, Karam, G.A, Mansour, M.N, McClure, L.D, Pandit, J, Schulte, G.K, Treadway, J.L, Wang, I.-K, Bauer, P.H. | | Deposit date: | 2002-04-10 | | Release date: | 2002-10-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid: an allosteric inhibitor of fructose-1,6-bisphosphatase at the AMP site.
Bioorg.Med.Chem.Lett., 13, 2003
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6MFP
 | | Crystal Structure of the RV305 C1-C2 specific ADCC potent antibody DH677.3 Fab in complex with HIV-1 clade A/E gp120 and M48U1 | | Descriptor: | 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, CHLORIDE ION, ... | | Authors: | Tolbert, W.D, Young, B, Pazgier, M. | | Deposit date: | 2018-09-11 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
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3UH2
 | | Tankyrase-1 in complexed with PJ34 | | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, SULFATE ION, Tankyrase-1, ... | | Authors: | Kirby, C.A, Stams, T. | | Deposit date: | 2011-11-03 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of human tankyrase 1 in complex with small-molecule inhibitors PJ34 and XAV939.
Acta Crystallogr.,Sect.F, 68, 2012
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1HJQ
 | | Structure of two fungal beta-1,4-galactanases: searching for the basis for temperature and pH optimum. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-1,4-GALACTANASE | | Authors: | Le Nours, J, Ryttersgaard, C, Lo Leggio, L, Ostergaard, P.R, Borchert, T.V, Christensen, L.L.H, Larsen, S. | | Deposit date: | 2003-02-27 | | Release date: | 2003-07-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of Two Fungal Beta-1,4-Galactanases: Searching for the Basis for Temperature and Ph Optimum
Protein Sci., 12, 2003
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2VO7
 | | Structure of PKA complexed with 4-(4-Chlorobenzyl)-1-(7H-pyrrolo(2,3- d)pyrimidin-4-yl)piperidin-4-ylamine | | Descriptor: | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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4CSA
 | | Crystal structure of the asymmetric human metapneumovirus M2-1 tetramer bound to a DNA 4-mer | | Descriptor: | 5'-D(*AP*GP*TP*TP*AP)-3', GLYCEROL, M2-1, ... | | Authors: | Leyrat, C, Renner, M, Harlos, K, Grimes, J.M. | | Deposit date: | 2014-03-05 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Drastic Changes in Conformational Dynamics of the Antiterminator M2-1 Regulate Transcription Efficiency in Pneumovirinae.
Elife, 3, 2014
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6LS9
 | | Crystal structure of bovine herpesvirus 1 glycoprotein D | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D | | Authors: | Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W. | | Deposit date: | 2020-01-17 | | Release date: | 2020-06-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
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6MCF
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3D8P
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