3RAI
 
 | | CDK2 in complex with inhibitor KVR-1-160 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-28 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3RAK
 | | CDK2 in complex with inhibitor RC-2-32 | | Descriptor: | 4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-28 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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3P2H
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3RM6
 | | CDK2 in complex with inhibitor KVR-2-80 | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-04-20 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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2WIC
 | | Crystal Structures of the N-terminal Intracellular Domain of FeoB from Klebsiella Pneumoniae in GMPPNP binding state | | Descriptor: | FERROUS IRON TRANSPORT PROTEIN B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Hung, K.-W, Chang, Y.-W, Chen, J.-H, Chen, Y.-C, Sun, Y.-J, Hsiao, C.-D, Huang, T.-H. | | Deposit date: | 2009-05-09 | | Release date: | 2010-05-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Fold, Conservation and Fe(II) Binding of the Intracellular Domain of Prokaryote Feob.
J.Struct.Biol., 170, 2010
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3X2S
 | | Crystal structure of pyrene-conjugated adenylate kinase | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Fujii, A, Sekiguchi, Y, Matsumura, H, Inoue, T, Chung, W.-S, Hirota, S, Matsuo, T. | | Deposit date: | 2014-12-31 | | Release date: | 2015-04-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Excimer Emission Properties on Pyrene-Labeled Protein Surface: Correlation between Emission Spectra, Ring Stacking Modes, and Flexibilities of Pyrene Probes.
Bioconjug.Chem., 26, 2015
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3PAH
 | | HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN DIMER WITH BOUND ADRENALINE INHIBITOR | | Descriptor: | 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol, FE (III) ION, PHENYLALANINE HYDROXYLASE | | Authors: | Erlandsen, H, Flatmark, T, Stevens, R.C. | | Deposit date: | 1998-08-20 | | Release date: | 1999-04-27 | | Last modified: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution.
Biochemistry, 37, 1998
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3ZNC
 | | MURINE CARBONIC ANHYDRASE IV COMPLEXED WITH BRINZOLAMIDE | | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE IV, ZINC ION | | Authors: | Stams, T, Chen, Y, Christianson, D.W. | | Deposit date: | 1998-02-10 | | Release date: | 1999-03-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
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3X43
 | | Crystal structure of O-ureido-L-serine synthase | | Descriptor: | O-ureido-L-serine synthase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Matoba, Y, Uda, N, Oda, K, Sugiyama, M. | | Deposit date: | 2015-03-13 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The structural and mutational analyses of O-ureido-L-serine synthase necessary for D-cycloserine biosynthesis.
Febs J., 282, 2015
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3P3N
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3ZQE
 | | PrgI-SipD from Salmonella typhimurium in complex with deoxycholate | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCEROL, PROTEIN PRGI, ... | | Authors: | Lunelli, M, Kolbe, M. | | Deposit date: | 2011-06-09 | | Release date: | 2011-08-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal Structure of Prgi-Sipd: Insight Into a Secretion Competent State of the Type Three Secretion System Needle Tip and its Interaction with Host Ligands
Plos Pathog., 7, 2011
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4A4D
 | | Crystal structure of the N-terminal domain of the Human DEAD-BOX RNA helicase DDX5 (P68) | | Descriptor: | PROBABLE ATP-DEPENDENT RNA HELICASE DDX5 | | Authors: | Dutta, S, Choi, Y.W, Kotaka, M, Fielding, B.C, Tan, Y.J. | | Deposit date: | 2011-10-11 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Variable N-Terminal Region of Ddx5 Contains Structural Elements and Auto-Inhibits its Interaction with Ns5B of Hepatitis C Virus.
Biochem.J., 446, 2012
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4AED
 | | Crystal structure of Human enterovirus 71 | | Descriptor: | CALCIUM ION, LAURIC ACID, VP1, ... | | Authors: | Plevka, P, Perera, R, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2012-01-09 | | Release date: | 2012-04-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal Structure of Human Enterovirus 71.
Science, 336, 2012
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3MY6
 | | Crystal Structure of the complex of type 1 ribosome inactivating protein with 7-methylguanine at 2.65 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, Ribosome-inactivating protein momordin I | | Authors: | Kushwaha, G.S, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2010-05-10 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structure of the complex of type 1 ribosome inactivating protein with 7-methylguanine at 2.65 A resolution
To be Published
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2V9G
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3RZB
 | | CDK2 in complex with inhibitor RC-2-23 | | Descriptor: | 4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-05-11 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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3S00
 | | CDK2 in complex with inhibitor L4-14 | | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-05-12 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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4ANG
 | | Small RNA phage PRR1 in complex with an RNA operator fragment | | Descriptor: | 5'-R(*CP*CP*AP*UP*AP*AP*GP*GP*AP*GP*CP*UP*AP*CP *CP*UP*AP*UP*GP*GP)-3', CALCIUM ION, COAT PROTEIN | | Authors: | Persson, M, Tars, K, Liljas, L. | | Deposit date: | 2012-03-16 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Prr1 Coat Protein Binding to its RNA Translational Operator
Acta Crystallogr.,Sect.D, 69, 2013
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3N7M
 | | Crystal structure of W1252A mutant of HCR D/C VPI 5995 | | Descriptor: | GLYCEROL, Neurotoxin, SULFATE ION | | Authors: | Fu, Z, Karalewitz, A, Kroken, A, Baldwin, M.R, Barbieri, J.T, Kim, J.-J.P. | | Deposit date: | 2010-05-27 | | Release date: | 2010-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of a Unique Ganglioside Binding Loop within Botulinum Neurotoxins C and D-SA .
Biochemistry, 49, 2010
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4AGC
 | | CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl- vinyl)-1H-indazol-6-ylsulfanyl)-benzamide) | | Descriptor: | AXITINIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | | Authors: | Mctigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Kania, R.S. | | Deposit date: | 2012-01-26 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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479D
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4AG4
 | | Crystal structure of a DDR1-Fab complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1, ... | | Authors: | Carafoli, F, Mayer, M.C, Shiraishi, K, Pecheva, M.A, Chan, L.Y, Nan, R, Leitinger, B, Hohenester, E. | | Deposit date: | 2012-01-24 | | Release date: | 2012-04-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the Discoidin Domain Receptor 1 Extracellular Region Bound to an Inhibitory Fab Fragment Reveals Features Important for Signaling.
Structure, 20, 2012
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4A37
 | | Metallo-carboxypeptidase from Pseudomonas Aeruginosa | | Descriptor: | METALLO-CARBOXYPEPTIDASE, ZINC ION | | Authors: | Otero, A, Rodriguez de la Vega, M, Tanco, S.M, Lorenzo, J, Aviles, F.X, Reverter, D. | | Deposit date: | 2011-09-30 | | Release date: | 2012-05-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Novel Structure of a Cytosolic M14 Metallocarboxypeptidase (Ccp) from Pseudomonas Aeruginosa: A Model for Mammalian Ccps.
Faseb J., 26, 2012
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3QQ5
 | | Crystal structure of the [FeFe]-hydrogenase maturation protein HydF | | Descriptor: | Small GTP-binding protein | | Authors: | Cendron, L, Berto, P, D'Adamo, S, Vallese, F, Govoni, C, Posewitz, M.C, Giacometti, G.M, Costantini, P, Zanotti, G. | | Deposit date: | 2011-02-15 | | Release date: | 2011-11-16 | | Last modified: | 2012-01-11 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystal Structure of HydF Scaffold Protein Provides Insights into [FeFe]-Hydrogenase Maturation.
J.Biol.Chem., 286, 2011
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4APP
 | | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide | | Descriptor: | GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4 | | Authors: | Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W. | | Deposit date: | 2012-04-04 | | Release date: | 2012-06-06 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
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