1C5X
 
 | | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | | Descriptor: | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CITRATE ANION, PROTEIN (UROKINASE-TYPE PLASMINOGEN ACTIVATOR) | | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | | Deposit date: | 1999-12-22 | | Release date: | 2000-12-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
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3FQ9
 | | Design of an insulin analog with enhanced receptor-binding selectivity. Rationale, structure, and therapeutic implications | | Descriptor: | Insulin, ZINC ION | | Authors: | Zhao, M, Wan, Z.L, Whittaker, L, Xu, B, Phillips, N, Katsoyannis, P, Whittaker, J, Weiss, M.A. | | Deposit date: | 2009-01-07 | | Release date: | 2009-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Design of an insulin analog with enhanced receptor binding selectivity: rationale, structure, and therapeutic implications.
J.Biol.Chem., 284, 2009
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2JA1
 | | Thymidine kinase from B. cereus with TTP bound as phosphate donor. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Kosinska, U, Carnrot, C, Sandrini, M.P.B, Clausen, A.R, Wang, L, Piskur, J, Eriksson, S, Eklund, H. | | Deposit date: | 2006-11-17 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Studies of Thymidine Kinases from Bacillus Anthracis and Bacillus Cereus Provide Insights Into Quaternary Structure and Conformational Changes Upon Substrate Binding
FEBS J., 274, 2007
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2J9R
 | | Thymidine kinase from B. anthracis in complex with dT. | | Descriptor: | PHOSPHATE ION, THYMIDINE, THYMIDINE KINASE, ... | | Authors: | Kosinska, U, Carnrot, C, Sandrini, M.P.B, Clausen, A.R, Wang, L, Piskur, J, Eriksson, S, Eklund, H. | | Deposit date: | 2006-11-15 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Studies of Thymidine Kinases from Bacillus Anthracis and Bacillus Cereus Provide Insights Into Quaternary Structure and Conformational Changes Upon Substrate Binding
FEBS J., 274, 2007
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1MQX
 | | NMR Solution Structure of Type-B Lantibiotics Mersacidin in MeOH/H2O Mixture | | Descriptor: | LANTIBIOTIC MERSACIDIN | | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | | Deposit date: | 2002-09-17 | | Release date: | 2003-03-11 | | Last modified: | 2024-07-10 | | Method: | SOLUTION NMR | | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity
J.Biol.Chem., 278, 2003
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2JNH
 | | Solution Structure of the UBA Domain from Cbl-b | | Descriptor: | E3 ubiquitin-protein ligase CBL-B | | Authors: | Zhou, C, Zhou, Z, Lin, D, Hu, H. | | Deposit date: | 2007-01-24 | | Release date: | 2008-02-05 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Differential ubiquitin binding of the UBA domains from human c-Cbl and Cbl-b: NMR structural and biochemical insights
Protein Sci., 17, 2008
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4QHN
 | | I2 (unbound) from CH103 Lineage | | Descriptor: | I2 heavy chain, I2 light chain | | Authors: | Fera, D, Harrison, S.C. | | Deposit date: | 2014-05-28 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2CLV
 | | MHC Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and pBM8 peptide | | Descriptor: | BETA-2 MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN, ... | | Authors: | Mazza, C, Auphan-Anezin, N, Guimezanes, A, Barrett-Wilt, G.A, Montero-Julian, F, Roussel, A, Hunt, D.F, Schmitt-Verhulst, A.M, Malissen, B. | | Deposit date: | 2006-05-02 | | Release date: | 2006-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Distinct orientation of the alloreactive monoclonal CD8 T cell activation program by three different peptide/MHC complexes.
Eur. J. Immunol., 36, 2006
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3CD5
 | | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | | Descriptor: | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | | Deposit date: | 2008-02-26 | | Release date: | 2008-06-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
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4D3O
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(3-(2-(1H-Pyrrolo(2,3-b)pyridin-6-yl)ethyl)-5-(aminomethyl) phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 6-(2-{3-(aminomethyl)-5-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, CHLORIDE ION, GLYCEROL, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2014-10-23 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
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3RUO
 | | Complex structure of HevB EV93 main protease 3C with Rupintrivir (AG7088) | | Descriptor: | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, CHLORIDE ION, HEVB EV93 3C PROTEASE, ... | | Authors: | Kaczmarska, Z, Janowski, R, Costenaro, L, Coutard, B, Norder, H, Canard, B, Coll, M. | | Deposit date: | 2011-05-05 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93.
J.Virol., 85, 2011
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3DSR
 | | ADP in transition binding site in the subunit B of the energy converter A1Ao ATP synthase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase beta chain | | Authors: | Kumar, A, Manimekalai, S.M.S, Balakrishna, A.M, Gruber, G. | | Deposit date: | 2008-07-14 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the nucleotide-binding subunit B of the energy producer A1A0 ATP synthase in complex with adenosine diphosphate
Acta Crystallogr.,Sect.D, 64, 2008
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4H6H
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2WCX
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2KEB
 | | NMR solution structure of the N-terminal domain of the DNA polymerase alpha p68 subunit | | Descriptor: | DNA polymerase subunit alpha B | | Authors: | Huang, H, Weiner, B.E, Zhang, H, Fuller, B.E, Gao, Y, Wile, B.M, Chazin, W.J, Fanning, E. | | Deposit date: | 2009-01-28 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of a DNA polymerase alpha-primase domain that docks on the SV40 helicase and activates the viral primosome.
J.Biol.Chem., 285, 2010
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4DYM
 | | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135 | | Descriptor: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ... | | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-02-29 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
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5VNY
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1O5M
 | | Structure of FPT bound to the inhibitor SCH66336 | | Descriptor: | 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, FARNESYL DIPHOSPHATE, Protein farnesyltransferase alpha subunit, ... | | Authors: | Strickland, C.L, Weber, P.C, Ganguly, A.K. | | Deposit date: | 2003-09-26 | | Release date: | 2003-10-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tricyclic Farnesyl Protein Transferase Inhibitors: Crystallographic and Calorimetric Studies of Structure-Activity Relationships
J.Med.Chem., 42, 1999
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4H6I
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3BBC
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1TXB
 | | SOLUTION NMR STRUCTURE OF TOXIN B, A LONG NEUROTOXIN FROM THE VENOM OF THE KING COBRA, 10 STRUCTURES | | Descriptor: | TOXIN B | | Authors: | Peng, S.-S, Kumar, T.K.S, Jayaraman, G, Chang, C.-C, Yu, C. | | Deposit date: | 1996-07-20 | | Release date: | 1997-10-15 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of toxin b, a long neurotoxin from the venom of the king cobra (Ophiophagus hannah).
J.Biol.Chem., 272, 1997
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3QTI
 | | c-Met Kinase in Complex with NVP-BVU972 | | Descriptor: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline, CHLORIDE ION, GLYCEROL, ... | | Authors: | Appleton, B.A. | | Deposit date: | 2011-02-22 | | Release date: | 2011-07-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Drug Resistance Screen Using a Selective MET Inhibitor Reveals a Spectrum of Mutations That Partially Overlap with Activating Mutations Found in Cancer Patients.
Cancer Res., 71, 2011
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3ERA
 | | RECOMBINANT ERABUTOXIN A (S8T MUTANT) | | Descriptor: | ERABUTOXIN A, THIOCYANATE ION | | Authors: | Gaucher, J.F, Menez, R, Arnoux, B, Menez, A, Ducruix, A. | | Deposit date: | 1997-06-25 | | Release date: | 1997-12-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High resolution x-ray analysis of two mutants of a curaremimetic snake toxin
Eur.J.Biochem., 267, 2000
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1XW7
 | | Diabetes-Associated Mutations in Human Insulin: Crystal Structure and Photo-Cross-Linking Studies of A-Chain Variant Insulin Wakayama | | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | | Authors: | Wan, Z.L, Huang, K, Xu, B, Chu, Y.C, Hu, S.Q, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2004-10-29 | | Release date: | 2005-04-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Diabetes-associated mutations in human insulin: crystal structure and photo-cross-linking studies of a-chain variant insulin wakayama
Biochemistry, 44, 2005
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1Z0H
 | | N-terminal helix reorients in recombinant C-fragment of Clostridium botulinum type B | | Descriptor: | Botulinum neurotoxin type B | | Authors: | Jayaraman, S, Eswarmoorthy, S, Ashraf, S.A, Smith, L.A, Swaminathan, S. | | Deposit date: | 2005-03-01 | | Release date: | 2005-03-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | N-terminal helix reorients in recombinant C-fragment of Clostridium botulinum type B.
Biochem.Biophys.Res.Commun., 330, 2005
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