4HY4
 
 | | Crystal structure of cIAP1 BIR3 bound to T3170284 | | Descriptor: | (3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Dougan, D.R, Mol, C.D, Snell, G.P. | | Deposit date: | 2012-11-12 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.249 Å) | | Cite: | Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
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1RTD
 | | STRUCTURE OF A CATALYTIC COMPLEX OF HIV-1 REVERSE TRANSCRIPTASE: IMPLICATIONS FOR NUCLEOSIDE ANALOG DRUG RESISTANCE | | Descriptor: | DNA PRIMER FOR REVERSE TRANSCRIPTASE, DNA TEMPLATE FOR REVERSE TRANSCRIPTASE, MAGNESIUM ION, ... | | Authors: | Chopra, R, Huang, H, Verdine, G.L, Harrison, S.C. | | Deposit date: | 1998-08-26 | | Release date: | 1998-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of a covalently trapped catalytic complex of HIV-1 reverse transcriptase: implications for drug resistance.
Science, 282, 1998
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3NY4
 | | Crystal Structure of BlaC-K73A bound with Cefamandole | | Descriptor: | (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Tremblay, L.W, Blanchard, J.S. | | Deposit date: | 2010-07-14 | | Release date: | 2010-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Structures of the Michaelis Complex (1.2 A) and the Covalent Acyl Intermediate (2.0 A) of Cefamandole Bound in the Active Sites of the Mycobacterium tuberculosis beta-Lactamase K73A and E166A Mutants.
Biochemistry, 49, 2010
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3PUT
 | | Crystal Structure of the CERT START domain (mutant V151E) from Rhizobium etli at the resolution 1.8A, Northeast Structural Genomics Consortium Target ReR239. | | Descriptor: | HEXANE-1,6-DIOL, Hypothetical conserved protein | | Authors: | Kuzin, A, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-12-06 | | Release date: | 2010-12-22 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.828 Å) | | Cite: | Crystal Structure of the CERT START domain (mutant V151E) from Rhizobium etli at the resolution 1.8A, Northeast Structural Genomics Consortium Target ReR239.
To be Published
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4EJ2
 | | Crystal structure of GPb in complex with DK10 | | Descriptor: | 1-(beta-D-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2012-04-06 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
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2RK6
 | | Structure of E163K DJ-1 | | Descriptor: | Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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2AS8
 | | Crystal structure of mature and fully active Der p 1 allergen | | Descriptor: | MAGNESIUM ION, Major mite fecal allergen Der p 1 | | Authors: | de Halleux, S, Stura, E, VanderElst, L, Carlier, V, Jacquemin, M, Saint-Remy, J.-M. | | Deposit date: | 2005-08-23 | | Release date: | 2005-12-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Three-dimensional structure and IgE-binding properties of mature fully active Der p 1, a clinically relevant major allergen
J.Allergy Clin.Immunol., 117, 2006
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3ZGG
 | | Crystal structure of the Fucosylgalactoside alpha N- acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with NPE caged UDP-Gal (C222(1) space group) | | Descriptor: | 1-(2-NITROPHENYL)ETHYL UDP-GALACTOSE, GLYCEROL, HISTO-BLOOD GROUP ABO SYSTEM TRANSFERASE, ... | | Authors: | Jorgensen, R, Batot, G.O, Hindsgaul, O, Tanaka, H, Perez, S, Imberty, A, Breton, C, Royant, A, Palcic, M.M. | | Deposit date: | 2012-12-17 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of a Human Blood Group Glycosyltransferase in Complex with a Photo-Activatable Udp-Gal Derivative Reveal Two Different Binding Conformations
Acta Crystallogr.,Sect.F, 70, 2014
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1RCA
 | | STRUCTURE OF THE CRYSTALLINE COMPLEX OF DEOXYCYTIDYLYL-3',5'-GUANOSINE (3',5'-DCPDG) CO-CRYSTALISED WITH RIBONUCLEASE AT 1.9 ANGSTROMS RESOLUTION. RETROBINDING IN PANCREATIC RNASEA IS INDEPENDENT OF MODE OF INHIBITOR INTROMISSION | | Descriptor: | 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE, PHOSPHATE ION, RIBONUCLEASE A | | Authors: | Lisgarten, J.N, Palmer, R.A. | | Deposit date: | 1994-07-18 | | Release date: | 1995-09-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the crystalline complex of deoxycytidylyl-3',5'-guanosine (3',5'-dCpdG) cocrystallized with ribonuclease at 1.9 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
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2RG5
 | | Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B | | Descriptor: | Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | | Authors: | Sack, J.S. | | Deposit date: | 2007-10-02 | | Release date: | 2008-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
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1JLW
 | | Anopheles dirus species B glutathione S-transferases 1-4 | | Descriptor: | glutathione transferase GST1-4 | | Authors: | Oakley, A.J, Harnnoi, T, Udomsinprasert, R, Jirajaroenrat, K, Ketterman, A.J, Wilce, M.C. | | Deposit date: | 2001-07-16 | | Release date: | 2002-07-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The crystal structures of glutathione S-transferases isozymes 1-3 and 1-4 from Anopheles dirus species B.
Protein Sci., 10, 2001
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1RZG
 | | Crystal structure of Human anti-HIV-1 GP120 reactive antibody 412d | | Descriptor: | ASPARTIC ACID, CYSTEINE, Fab 412d heavy chain, ... | | Authors: | Huang, C.C, Venturi, M, Majeed, S, Moore, M.J, Phogat, S, Zhang, M.-Y, Dimitrov, D.S, Hendrickson, W.A, Robinson, J, Sodroski, J, Wyatt, R, Choe, H, Farzan, M, Kwong, P.D. | | Deposit date: | 2003-12-24 | | Release date: | 2004-02-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of tyrosine sulfation and VH-gene usage in antibodies that recognize the HIV type 1 coreceptor-binding site on gp120
Proc.Natl.Acad.Sci.USA, 101, 2004
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1K1U
 | | Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance | | Descriptor: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN | | Authors: | Mahalingam, B, Boross, P, Wang, Y.-F, Louis, J.M, Fischer, C, Tozser, J, W Harrison, R, Weber, I.T. | | Deposit date: | 2001-09-25 | | Release date: | 2002-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Combining mutations in HIV-1 protease to understand mechanisms of resistance.
Proteins, 48, 2002
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1TDG
 | | Complex of S130G SHV-1 beta-lactamase with tazobactam | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase SHV-1, ... | | Authors: | Sun, T, Bethel, C.R, Bonomo, R.A, Knox, J.R. | | Deposit date: | 2004-05-21 | | Release date: | 2004-11-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibitor-resistant class A beta-lactamases: consequences of the Ser130-to-Gly mutation seen in Apo and tazobactam structures of the SHV-1 variant
Biochemistry, 43, 2004
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3SMP
 | | Monoclinic crystal structure of human pantothenate kinase 1 alpha | | Descriptor: | ACETYL COENZYME *A, ARSENIC, CHLORIDE ION, ... | | Authors: | Guan, X, Tempel, W, Hong, B, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-06-28 | | Release date: | 2011-07-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Monoclinic crystal structure of human pantothenate kinase 1 alpha
to be published
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1K0N
 | | Chloride Intracellular Channel 1 (CLIC1) complexed with glutathione | | Descriptor: | CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1, GLUTATHIONE | | Authors: | Harrop, S.J, DeMaere, M.Z, Fairlie, W.D, Reztsova, T, Valenzuela, S.M, Mazzanti, M, Tonini, R, Qiu, M.R, Jankova, L, Warton, K, Bauskin, A.R, Wu, W.M, Pankhurst, S, Campbell, T.J, Breit, S.N, Curmi, P.M.G. | | Deposit date: | 2001-09-19 | | Release date: | 2001-12-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a soluble form of the intracellular chloride ion channel CLIC1 (NCC27) at 1.4-A resolution.
J.Biol.Chem., 276, 2001
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2XUF
 | | CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (1 MTH) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ... | | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | | Deposit date: | 2010-10-19 | | Release date: | 2010-12-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
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2XYL
 | | CELLULOMONAS FIMI XYLANASE/CELLULASE COMPLEXED WITH 2-DEOXY-2-FLUORO-XYLOBIOSE | | Descriptor: | BETA-1,4-GLYCANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose | | Authors: | Monem, V, Birsan, C, Warren, R.A.J, Withers, S.G, Rose, D.R. | | Deposit date: | 1997-11-20 | | Release date: | 1998-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exploring the cellulose/xylan specificity of the beta-1,4-glycanase cex from Cellulomonas fimi through crystallography and mutation.
Biochemistry, 37, 1998
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1OWM
 | | DATA1:DNA photolyase / received X-rays dose 1.2 exp15 photons/mm2 | | Descriptor: | Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION | | Authors: | Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R. | | Deposit date: | 2003-03-28 | | Release date: | 2004-04-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
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1JTD
 | | Crystal structure of beta-lactamase inhibitor protein-II in complex with TEM-1 beta-lactamase | | Descriptor: | CALCIUM ION, TEM-1 beta-lactamase, beta-lactamase inhibitor protein II | | Authors: | Lim, D.C, Park, H.U, De Castro, L, Kang, S.G, Lee, H.S, Jensen, S, Lee, K.J, Strynadka, N.C.J. | | Deposit date: | 2001-08-20 | | Release date: | 2001-10-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure and kinetic analysis of beta-lactamase inhibitor protein-II in complex with TEM-1 beta-lactamase.
Nat.Struct.Biol., 8, 2001
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2GFS
 | | P38 Kinase Crystal Structure in complex with RO3201195 | | Descriptor: | Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | | Authors: | Harris, S.F, Bertrand, J, Villasenor, A. | | Deposit date: | 2006-03-23 | | Release date: | 2006-04-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase
J.Med.Chem., 49, 2006
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2XNO
 | | Structure of Nek2 bound to CCT243779 | | Descriptor: | 1,2-ETHANEDIOL, 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide, CHLORIDE ION, ... | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-08-05 | | Release date: | 2011-03-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
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3QFV
 | | MRCK beta in complex with TPCA-1 | | Descriptor: | 1,2-ETHANEDIOL, 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide, CDC42BPB protein, ... | | Authors: | Heikkila, T.J, Wheatley, E, Crighton, D, Schroder, E, Boakes, A, Kaye, S.J, Mezna, M, Pang, L, Rushbrooke, M, Turnbull, A, Olson, M.F. | | Deposit date: | 2011-01-23 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Co-crystal structures of inhibitors with MRCK beta , a key regulator of tumor cell invasion.
Plos One, 6, 2011
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1WUP
 | | Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81E) | | Descriptor: | ACETIC ACID, Beta-lactamase IMP-1, ZINC ION | | Authors: | Yamaguchi, Y, Yamagata, Y, Goto, M. | | Deposit date: | 2004-12-08 | | Release date: | 2005-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Probing the role of Asp-120(81) of metallo-beta-lactamase (IMP-1) by site-directed mutagenesis, kinetic studies, and X-ray crystallography.
J.Biol.Chem., 280, 2005
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2JYD
 | | Structure of the fifth zinc finger of Myelin Transcription Factor 1 | | Descriptor: | F5 domain of Myelin transcription factor 1, ZINC ION | | Authors: | Gamsjaeger, R, Swanton, M.K, Kobus, F.J, Lehtomaki, E, Lowry, J.A, Kwan, A.H, Matthews, J.M, Mackay, J.P. | | Deposit date: | 2007-12-12 | | Release date: | 2008-01-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural and biophysical analysis of the DNA binding properties of myelin transcription factor 1.
J.Biol.Chem., 283, 2008
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