108M
 
 | | SPERM WHALE MYOGLOBIN V68F N-BUTYL ISOCYANIDE AT PH 7.0 | | Descriptor: | MYOGLOBIN, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | | Deposit date: | 1997-12-23 | | Release date: | 1998-05-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins
Thesis, Rice, 1999
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109D
 | | VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2 | | Descriptor: | 5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Czarny, A, Boykin, D.W, Wood, A.A, Nunn, C.M, Neidle, S, Zhao, M, Wilson, W.D. | | Deposit date: | 1995-02-15 | | Release date: | 1995-05-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Variability in DNA minor groove width recognised by ligand binding: the crystal structure of a bis-benzimidazole compound bound to the DNA duplex d(CGCGAATTCGCG)2.
Nucleic Acids Res., 23, 1995
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109M
 | | SPERM WHALE MYOGLOBIN D122N ETHYL ISOCYANIDE AT PH 9.0 | | Descriptor: | ETHYL ISOCYANIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | | Deposit date: | 1997-12-22 | | Release date: | 1998-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins
Thesis, Rice, 1999
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110M
 | | SPERM WHALE MYOGLOBIN D122N METHYL ISOCYANIDE AT PH 9.0 | | Descriptor: | METHYL ISOCYANIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | | Deposit date: | 1997-12-23 | | Release date: | 1998-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins
Thesis, Rice, 1999
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2BSC
 | | E. coli F17a-G lectin domain complex with N-acetylglucosamine, high- resolution structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F17A-G ADHESIN | | Authors: | Buts, L, Wellens, A, Van Molle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J. | | Deposit date: | 2005-05-20 | | Release date: | 2006-05-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour.
Acta Crystallogr.,Sect.D, 61, 2005
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2BMC
 | | Aurora-2 T287D T288D complexed with PHA-680632 | | Descriptor: | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE, SERINE THREONINE-PROTEIN KINASE 6 | | Authors: | Cameron, A.D, Izzo, G, Sagliano, A, Rusconi, L, Storici, P, Fancelli, D, Berta, D, Bindi, S, Catana, C, Forte, B, Giordano, P, Mantegani, S, Meroni, M, Moll, J, Pittala, V, Severino, D, Tonani, R, Varasi, M, Vulpetti, A, Vianello, P. | | Deposit date: | 2005-03-11 | | Release date: | 2005-03-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition.
J.Med.Chem., 48, 2005
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2BPS
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10MH
 | | TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH ADOHCY AND HEMIMETHYLATED DNA CONTAINING 5,6-DIHYDRO-5-AZACYTOSINE AT THE TARGET | | Descriptor: | DNA (5'-D(P*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*AP*GP*5NCP*GP*CP*AP*TP*GP*G)-3'), PROTEIN (CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI), ... | | Authors: | Sheikhnejad, G, Brank, A, Christman, J.K, Goddard, A, Alvarez, E, Ford Junior, H, Marquez, V.E, Marasco, C.J, Sufrin, J.R, O'Gara, M, Cheng, X. | | Deposit date: | 1998-08-10 | | Release date: | 1999-02-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Mechanism of inhibition of DNA (cytosine C5)-methyltransferases by oligodeoxyribonucleotides containing 5,6-dihydro-5-azacytosine.
J.Mol.Biol., 285, 1999
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2BSR
 | | Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705 | | Descriptor: | BETA-2-MICROGLOBULIN, EPSTEIN-BARR NUCLEAR ANTIGEN-6, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Stewart-Jones, G.B.E, Di Gleria, K, Kollnberger, S, Mcmichael, A.J, Jones, E.Y, Bowness, P. | | Deposit date: | 2005-05-23 | | Release date: | 2005-05-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures and Kir3Dl1 Recognition of Three Immunodominant Viral Peptides Complexed to Hla-B2705
Eur.J.Immunol., 35, 2005
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111M
 | | SPERM WHALE MYOGLOBIN D122N N-BUTYL ISOCYANIDE AT PH 9.0 | | Descriptor: | MYOGLOBIN, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | | Deposit date: | 1997-12-24 | | Release date: | 1998-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins
Thesis, Rice, 1999
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2BOS
 | | A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR | | Descriptor: | N-BUTANE, PROTEIN (SHIGA-LIKE TOXIN IIE B SUBUNIT), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, ... | | Authors: | Ling, H, Boodhoo, A, Armstrong, G.D, Clark, C.G, Brunton, J.L, Read, R.J. | | Deposit date: | 1998-10-20 | | Release date: | 1999-10-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A mutant Shiga-like toxin IIe bound to its receptor Gb(3): structure of a group II Shiga-like toxin with altered binding specificity.
Structure Fold.Des., 8, 2000
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2BTC
 | | BOVINE TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II) | | Descriptor: | CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN) | | Authors: | Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O. | | Deposit date: | 1998-12-11 | | Release date: | 2000-01-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes.
Acta Crystallogr.,Sect.D, 55, 1999
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2BU5
 | | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | | Descriptor: | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | | Deposit date: | 2005-06-08 | | Release date: | 2006-02-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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112M
 | | SPERM WHALE MYOGLOBIN D122N N-PROPYL ISOCYANIDE AT PH 9.0 | | Descriptor: | MYOGLOBIN, N-PROPYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | | Deposit date: | 1997-12-24 | | Release date: | 1998-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins
Thesis, Rice, 1999
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1AKM
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2BSS
 | | Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705 | | Descriptor: | BETA-2-MICROGLOBULIN, HIV PEPTIDE, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN B-27 ALPHA CHAIN | | Authors: | Stewart-Jones, G.B.E, Di Gleria, K, Kollnberger, S, Mcmichael, A.J, Jones, E.Y, Bowness, P. | | Deposit date: | 2005-05-23 | | Release date: | 2005-05-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures and Kir3Dl1 Recognition of Three Immunodominant Viral Peptides Complexed to Hla-B2705
Eur.J.Immunol., 35, 2005
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1ALI
 | | ALKALINE PHOSPHATASE MUTANT (H412N) | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ma, L, Tibbitts, T.T, Kantrowitz, E.R. | | Deposit date: | 1995-06-02 | | Release date: | 1995-11-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Escherichia coli alkaline phosphatase: X-ray structural studies of a mutant enzyme (His-412-->Asn) at one of the catalytically important zinc binding sites.
Protein Sci., 4, 1995
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1AMI
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2BWA
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2C2A
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2BKZ
 | | STRUCTURE OF CDK2-CYCLIN A WITH PHA-404611 | | Descriptor: | 1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | Authors: | DAlessio, R, Bargiottia, A, Metz, S, Brasca, M.G, Cameron, A, Ermoli, A, Marsiglio, A, Polucci, P, Roletto, F, Tibolla, M, Vazquez, M.L, Vulpetti, A, Pevarello, P. | | Deposit date: | 2005-02-23 | | Release date: | 2006-03-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Benzodipyrazoles: A New Class of Potent Cdk2 Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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1A0J
 | | CRYSTAL STRUCTURE OF A NON-PSYCHROPHILIC TRYPSIN FROM A COLD-ADAPTED FISH SPECIES. | | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Schroeder, H.-K, Willassen, N.P, Smalaas, A.O. | | Deposit date: | 1997-12-01 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of a non-psychrophilic trypsin from a cold-adapted fish species.
Acta Crystallogr.,Sect.D, 54, 1998
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1A1A
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2BKS
 | | crystal structure of Renin-PF00074777 complex | | Descriptor: | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin | | Authors: | Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E. | | Deposit date: | 2005-02-18 | | Release date: | 2006-04-05 | | Last modified: | 2021-07-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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1A1O
 | | MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE LS6 (KPIVQYDNF) FROM THE MALARIA PARASITE P. FALCIPARUM | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, BW-53 B*5301 alpha chain, ... | | Authors: | Smith, K.J, Reid, S.W, Harlos, K, Mcmichael, A.J, Stuart, D.I, Bell, J.I, Jones, E.Y. | | Deposit date: | 1997-12-11 | | Release date: | 1998-04-08 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bound water structure and polymorphic amino acids act together to allow the binding of different peptides to MHC class I HLA-B53.
Immunity, 4, 1996
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