2XEL
 
 | | Molecular Mechanism of Pentachloropseudilin Mediated Inhibition of Myosin Motor Activity | | Descriptor: | 2,4-DICHLORO-6-(3,4,5-TRICHLORO-1H-PYRROL-2YL)PHENOL, ADP METAVANADATE, MAGNESIUM ION, ... | | Authors: | Chinthalapudi, K, Taft, M.H, Martin, R, Hartmann, F.K, Heissler, S.M, Tsiavaliaris, G, Gutzeit, H.O, Knoelker, H.J, Coluccio, L.M, Fedorov, R, Manstein, D.J. | | Deposit date: | 2010-05-16 | | Release date: | 2011-06-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism and Specificity of Pentachloropseudilin-Mediated Inhibition of Myosin Motor Activity.
J.Biol.Chem., 286, 2011
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2NOD
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND WATER BOUND IN ACTIVE CENTER | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1998-03-05 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate.
Science, 279, 1998
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2Z8X
 | | Crystal structure of extracellular lipase from Pseudomonas sp. MIS38 | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Angkawidjaja, C, You, D.J, Matsumura, H, Koga, Y, Takano, K, Kanaya, S. | | Deposit date: | 2007-09-11 | | Release date: | 2007-10-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structure of a family I.3 lipase from Pseudomonas sp. MIS38 in a closed conformation
FEBS Lett., 581, 2007
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2Z75
 | | T. tengcongensis glmS ribozyme bound to glucosamine-6-phosphate | | Descriptor: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, glmS ribozyme RNA, ... | | Authors: | Klein, D.J, Wilkinson, S.R, Been, M.D, Ferre-D'Amare, A.R. | | Deposit date: | 2007-08-15 | | Release date: | 2007-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Requirement of helix P2.2 and nucleotide G1 for positioning the cleavage site and cofactor of the glmS ribozyme
J.Mol.Biol., 373, 2007
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4MSU
 | | Human GKRP bound to AMG-6861 and Sorbitol-6-phosphate | | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | Ashton, K.S, Andrews, K.L, Bryan, M.C, Chen, J, Chen, K, Chen, M, Chmait, S, Croghan, M, Cupples, R, Fotsch, C, Helmering, J, Jordan, S.R, Kurzeja, R.J, Michelsen, K, Pennington, L.D, Poon, S.F, Sivits, G, Van, G, Vonderfecht, S.L, Wahl, R.C, Zhang, J, Lloyd, D.J, Hale, C, St Jean, D.J. | | Deposit date: | 2013-09-18 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 1. Discovery of a Novel Tool Compound for in Vivo Proof-of-Concept.
J.Med.Chem., 57, 2014
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2Z74
 | | T. tengcongensis glmS ribozyme bound to glucose-6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, glmS ribozyme RNA, ... | | Authors: | Klein, D.J, Wilkinson, S.R, Been, M.D, Ferre-D'Amare, A.R. | | Deposit date: | 2007-08-15 | | Release date: | 2007-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Requirement of helix P2.2 and nucleotide G1 for positioning the cleavage site and cofactor of the glmS ribozyme
J.Mol.Biol., 373, 2007
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2C0O
 | | Src family kinase Hck with bound inhibitor A-770041 | | Descriptor: | CALCIUM ION, N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | | Deposit date: | 2005-09-06 | | Release date: | 2006-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
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2C0I
 | | Src family kinase Hck with bound inhibitor A-420983 | | Descriptor: | CALCIUM ION, N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | | Deposit date: | 2005-09-03 | | Release date: | 2006-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
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2C8I
 | | Complex Of Echovirus Type 12 With Domains 1, 2, 3 and 4 Of Its Receptor Decay Accelerating Factor (Cd55) By Cryo Electron Microscopy At 16 A | | Descriptor: | COMPLEMENT DECAY-ACCELERATING FACTOR, ECHOVIRUS 11 COAT PROTEIN VP1, ECHOVIRUS 11 COAT PROTEIN VP2, ... | | Authors: | Pettigrew, D.M, Williams, D.T, Kerrigan, D, Evans, D.J, Lea, S.M, Bhella, D. | | Deposit date: | 2005-12-05 | | Release date: | 2006-01-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (14 Å) | | Cite: | Structural and Functional Insights Into the Interaction of Echoviruses and Decay-Accelerating Factor.
J.Biol.Chem., 281, 2006
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1PHK
 | | TWO STRUCTURES OF THE CATALYTIC DOMAIN OF PHOSPHORYLASE, KINASE: AN ACTIVE PROTEIN KINASE COMPLEXED WITH NUCLEOTIDE, SUBSTRATE-ANALOGUE AND PRODUCT | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PHOSPHORYLASE KINASE | | Authors: | Owen, D.J, Noble, M.E.M, Garman, E.F, Papageorgiou, A.C, Johnson, L.N. | | Deposit date: | 1996-03-15 | | Release date: | 1996-08-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Two structures of the catalytic domain of phosphorylase kinase: an active protein kinase complexed with substrate analogue and product.
Structure, 3, 1995
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1PIK
 | | ESPERAMICIN A1-DNA COMPLEX, NMR, 4 STRUCTURES | | Descriptor: | 2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentopyranose-(1-2)-4-amino-4,6-dideoxy-beta-D-glucopyranose, 2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose, 2-deoxy-alpha-L-fucopyranose, ... | | Authors: | Kumar, R.A, Ikemoto, N, Patel, D.J. | | Deposit date: | 1996-12-11 | | Release date: | 1997-03-12 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Esperamicin A1-DNA Complex
J.Mol.Biol., 265, 1997
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1NOS
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114), IMIDAZOLE COMPLEX | | Descriptor: | IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1997-09-28 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Science, 278, 1997
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1NOC
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) COMPLEXED WITH TYPE I E. COLI CHLORAMPHENICOL ACETYL TRANSFERASE AND IMIDAZOLE | | Descriptor: | IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1997-09-28 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Science, 278, 1997
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1QH2
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1PSD
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1S78
 | | Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab Fab heavy chain, ... | | Authors: | Franklin, M.C, Carey, K.D, Vajdos, F.F, Leahy, D.J, de Vos, A.M, Sliwkowski, M.X. | | Deposit date: | 2004-01-29 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex.
Cancer Cell, 5, 2004
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1SLO
 | | FIRST STEM LOOP OF THE SL1 RNA FROM CAENORHABDITIS ELEGANS, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | RNA (5'-R(*UP*UP*AP*CP*CP*CP*AP*AP*GP*UP*UP*UP*GP*AP*GP*GP*UP*AP*A)-3') | | Authors: | Greenbaum, N.L, Radhakrishnan, I, Patel, D.J, Hirsh, D. | | Deposit date: | 1996-05-24 | | Release date: | 1996-12-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the donor site of a trans-splicing RNA.
Structure, 4, 1996
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1SLP
 | | FIRST STEM LOOP OF THE SL1 RNA FROM CAENORHABDITIS ELEGANS, NMR, 16 STRUCTURES | | Descriptor: | RNA (5'-R(*UP*UP*AP*CP*CP*CP*AP*AP*GP*UP*UP*UP*GP*AP*GP*GP*UP*AP*A)-3') | | Authors: | Greenbaum, N.L, Radhakrishnan, I, Patel, D.J, Hirsh, D. | | Deposit date: | 1996-05-24 | | Release date: | 1997-04-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the donor site of a trans-splicing RNA.
Structure, 4, 1996
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1SYM
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7PK0
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7PK2
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7PPX
 | | ATAD2 in complex with FragLite3 | | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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4Z6H
 | | Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand | | Descriptor: | 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one, Bromodomain-containing protein 9 | | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | | Deposit date: | 2015-04-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4ZM1
 | | Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - wild type | | Descriptor: | CITRIC ACID, Chain length determinant protein, MAGNESIUM ION | | Authors: | Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R. | | Deposit date: | 2015-05-02 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
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4PE7
 | | Crystal Structure of Calcium-loaded S100B bound to SC1982 | | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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