1TQF
 
 | | Crystal structure of human Beta secretase complexed with inhibitor | | Descriptor: | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE, Beta-secretase 1 | | Authors: | Munshi, S, Chen, Z, Kuo, L. | | Deposit date: | 2004-06-17 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases.
J.Med.Chem., 47, 2004
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1TRM
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1TUS
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1U06
 | | crystal structure of chicken alpha-spectrin SH3 domain | | Descriptor: | AZIDE ION, Spectrin alpha chain, brain | | Authors: | Chevelkov, V, Faelber, K, Diehl, A, Heinemann, U, Oschkinat, H, Reif, B. | | Deposit date: | 2004-07-13 | | Release date: | 2005-01-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Detection of dynamic water molecules in a microcrystalline sample of the SH3 domain of alpha-spectrin by MAS solid-state NMR.
J.Biomol.Nmr, 31, 2005
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1TNG
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3VVH
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1TQ9
 | | Non-covalent swapped dimer of Bovine Seminal Ribonuclease in complex with 2'-DEOXYCYTIDINE-2'-DEOXYADENOSINE-3',5'-MONOPHOSPHATE | | Descriptor: | 2'-DEOXYCYTIDINE-2'-DEOXYADENOSINE-3',5'-MONOPHOSPHATE, Ribonuclease, seminal | | Authors: | Sica, F, Di Fiore, A, Merlino, A, Mazzarella, L. | | Deposit date: | 2004-06-17 | | Release date: | 2004-09-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Stability of the Non-covalent Swapped Dimer of Bovine Seminal Ribonuclease: AN ENZYME TAILORED TO EVADE RIBONUCLEASE PROTEIN INHIBITOR
J.Biol.Chem., 279, 2004
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5AND
 | | Crystal structure of CDK2 in complex with 2-imidazol-1-yl-1H- benzimidazole processed with the CrystalDirect automated mounting and cryo-cooling technology | | Descriptor: | 2-IMIDAZOL-1-YL-1H-BENZIMIDAZOLE, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | Deposit date: | 2015-09-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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7YU4
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1TX8
 | | Bovine Trypsin complexed with AMSO | | Descriptor: | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Trypsinogen | | Authors: | Mesecar, A.D. | | Deposit date: | 2004-07-02 | | Release date: | 2005-10-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa
Bioorg.Med.Chem.Lett., 14, 2004
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5AP2
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE TTK, ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE | | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | | Deposit date: | 2015-09-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
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1UAC
 | | Crystal Structure of HYHEL-10 FV MUTANT SFSF Complexed with TURKEY WHITE LYSOZYME | | Descriptor: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | | Authors: | Kumagai, I, Nishimiya, Y, Kondo, H, Tsumoto, K. | | Deposit date: | 2003-03-08 | | Release date: | 2004-03-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural consequences of target epitope-directed functional alteration of an antibody. The case of anti-hen lysozyme antibody, HyHEL-10
J.BIOL.CHEM., 278, 2003
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1UBD
 | | CO-CRYSTAL STRUCTURE OF HUMAN YY1 ZINC FINGER DOMAIN BOUND TO THE ADENO-ASSOCIATED VIRUS P5 INITIATOR ELEMENT | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*TP*CP*TP*CP*CP*AP*TP*TP*TP*TP*GP*AP*A P*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*CP*AP*AP*AP*AP*TP*GP*GP*AP*GP*AP*C P*CP*CP*T)-3'), PROTEIN (YY1 ZINC FINGER DOMAIN), ... | | Authors: | Houbaviy, H.B, Usheva, A, Shenk, T, Burley, S.K. | | Deposit date: | 1996-10-04 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Cocrystal structure of YY1 bound to the adeno-associated virus P5 initiator.
Proc.Natl.Acad.Sci.USA, 93, 1996
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5ANI
 | | Crystal structure of CDK2 in complex with 6-chloro-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology | | Descriptor: | 6-chloro-9H-purine, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | Deposit date: | 2015-09-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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5ANE
 | | Crystal structure of CDK2 in complex with 6-methoxy-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology | | Descriptor: | 6-METHOXY-9H-PURINE, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | Deposit date: | 2015-09-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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5BX7
 | | PKA in complex with a benzothiophene fragment compound. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ... | | Authors: | Narayanan, D, Alam, K.A, Engh, R.A. | | Deposit date: | 2015-06-08 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
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1TIJ
 | | 3D Domain-swapped human cystatin C with amyloid-like intermolecular beta-sheets | | Descriptor: | Cystatin C | | Authors: | Janowski, R, Kozak, M, Abrahamson, M, Grubb, A, Jaskolski, M. | | Deposit date: | 2004-06-02 | | Release date: | 2005-07-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | 3D domain-swapped human cystatin C with amyloidlike intermolecular beta-sheets.
Proteins, 61, 2005
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3UP2
 | | Aurora A in complex with RPM1686 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-17 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3001 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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5BX0
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1TJ9
 | | Structure of the complexed formed between group II phospholipase A2 and a rationally designed tetra peptide,Val-Ala-Arg-Ser at 1.1A resolution | | Descriptor: | ACETIC ACID, Phospholipase A2, SULFATE ION, ... | | Authors: | Singh, N, Ethayathulla, A.S, K Somvanshi, R, Sharma, S, Dey, S, Perbandt, M, Betzel, C, Kaur, P, Singh, T.P. | | Deposit date: | 2004-06-03 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of the complex formed between group II phospholipase A2 and a rationally designed tetra peptide,Val-Ala-Arg-Ser at 1.1A resolution
TO BE PUBLISHED
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1TK2
 | | Crystal Structure of the Complex formed between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution | | Descriptor: | CALCIUM ION, GRAMICIDIN S, SUBTILISIN SAVINASE | | Authors: | Bhatt, V.S, Kaur, P, Klupsch, S, Betzel, C, Brenner, S, Singh, T.P. | | Deposit date: | 2004-06-08 | | Release date: | 2004-06-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal Structure of the Complex Formed between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution.
To be Published
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1SRZ
 | | Solution structure of the second complement control protein (CCP) module of the GABA(B)R1a receptor, Pro-119 trans conformer | | Descriptor: | Gamma-aminobutyric acid type B receptor, subunit 1 | | Authors: | Blein, S, Uhrin, D, Smith, B.O, White, J.H, Barlow, P.N. | | Deposit date: | 2004-03-23 | | Release date: | 2004-10-12 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structural Analysis of the Complement Control Protein (CCP) Modules of GABAB Receptor 1a: ONLY ONE OF THE TWO CCP MODULES IS COMPACTLY FOLDED
J.Biol.Chem., 279, 2004
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1SZL
 | | F-spondin TSR domain 1 | | Descriptor: | F-spondin | | Authors: | Tossavainen, H, Paakkonen, K, Permi, P, Kilpelainen, I, Guntert, P. | | Deposit date: | 2004-04-06 | | Release date: | 2005-04-19 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the first and fourth TSR domains of F-spondin
Proteins, 64, 2006
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1T00
 | | The structure of thioredoxin from S. coelicolor | | Descriptor: | Thioredoxin | | Authors: | Stefankova, P. | | Deposit date: | 2004-04-07 | | Release date: | 2005-01-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Expression, purification and X-ray crystallographic analysis of thioredoxin from Streptomyces coelicolor.
Acta Crystallogr.,Sect.F, 61, 2005
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1SVH
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 | | Descriptor: | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-03-29 | | Release date: | 2005-03-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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