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1ECM
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BU of 1ecm by Molmil
ATOMIC STRUCTURE OF THE BURIED CATALYTIC POCKET OF ESCHERICHIA COLI CHORISMATE MUTASE
Descriptor: 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, ENDO-OXABICYCLIC TRANSITION STATE ANALOGUE
Authors:Clardy, J, Lee, A.Y.
Deposit date:1994-11-28
Release date:1995-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ATOMIC-STRUCTURE OF THE BURIED CATALYTIC POCKET OF ESCHERICHIA-COLI CHORISMATE MUTASE.
J.Am.Chem.Soc., 117, 1995
4FAP
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BU of 4fap by Molmil
ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP
Descriptor: C15-(R)-METHYLTHIENYL RAPAMYCIN, FK506-BINDING PROTEIN, FKBP12-RAPAMYCIN ASSOCIATED PROTEIN
Authors:Liang, J, Clardy, J.
Deposit date:1999-05-06
Release date:2000-09-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
4NNR
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BU of 4nnr by Molmil
FKBP13-FK506 Complex
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP2
Authors:Schultz, L.W, Martin, P.K, Liang, J, Schreiber, S.L, Clardy, J.
Deposit date:2013-11-18
Release date:2014-02-05
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Atomic structure of the Immunophilin FKBP13-FK506 Complex: Insights into the Composite Binding Surface for Calcineurin
J.Am.Chem.Soc., 116, 1994
2FAP
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BU of 2fap by Molmil
THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-(C16)-ETHOXY RAPAMYCIN COMPLEX INTERACTING WITH HUMA
Descriptor: C49-METHYL RAPAMYCIN, FK506-BINDING PROTEIN, FRAP
Authors:Liang, J, Choi, J, Clardy, J.
Deposit date:1998-09-22
Release date:1999-05-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
1CMI
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BU of 1cmi by Molmil
STRUCTURE OF THE HUMAN PIN/LC8 DIMER WITH A BOUND PEPTIDE
Descriptor: Dynein light chain 1, cytoplasmic, Nitric oxide synthase 1
Authors:Liang, J, Guo, W, Jaffery, S, Snyder, S, Clardy, J.
Deposit date:1999-05-06
Release date:2000-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the PIN/LC8 dimer with a bound peptide.
Nat.Struct.Biol., 6, 1999
3FAP
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BU of 3fap by Molmil
ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP
Descriptor: C15-(R)-METHYLTHIENYL RAPAMYCIN, FK506-BINDING PROTEIN, FKBP12-RAPAMYCIN ASSOCIATED PROTEIN
Authors:Liang, J, Clardy, J.
Deposit date:1999-05-06
Release date:2000-09-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
3OGN
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BU of 3ogn by Molmil
Crystal Structure of an Odorant-binding Protein from the Southern House Mosquito Complexed with an Oviposition Pheromone
Descriptor: (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate, MAGNESIUM ION, Odorant-binding protein
Authors:Mao, Y, Clardy, J.
Deposit date:2010-08-17
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal and solution structures of an odorant-binding protein from the southern house mosquito complexed with an oviposition pheromone.
Proc.Natl.Acad.Sci.USA, 107, 2010
2B0M
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BU of 2b0m by Molmil
Human dihydroorotate dehydrogenase bound to a novel inhibitor
Descriptor: 3-AMIDO-5-BIPHENYL-BENZOIC ACID, Dihydroorotate dehydrogenase, mitochondrial, ...
Authors:Hurt, D.E, Sutton, A.E, Clardy, J.
Deposit date:2005-09-14
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase.
Bioorg.Med.Chem.Lett., 16, 2006
2MAI
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BU of 2mai by Molmil
NMR structure of lassomycin
Descriptor: Lassomycin
Authors:Gavrish, E, Sit, C.S, Kandror, O, Spoering, A, Peoples, A, Ling, L, Fetterman, A, Hughes, D, Cao, S, Bissell, A, Torrey, H, Akopian, T, Mueller, A, Epstein, S, Goldberg, A, Clardy, J, Lewis, K.
Deposit date:2013-07-09
Release date:2014-05-07
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Lassomycin, a Ribosomally Synthesized Cyclic Peptide, Kills Mycobacterium tuberculosis by Targeting the ATP-Dependent Protease ClpC1P1P2.
Chem.Biol., 21, 2014
1NSG
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BU of 1nsg by Molmil
THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-RAPAMYCIN COMPLEX INTERACTING WITH HUMAN FRAP
Descriptor: C49-METHYL RAPAMYCIN, FK506-BINDING PROTEIN, FKBP-RAPAMYCIN ASSOCIATED PROTEIN (FRAP)
Authors:Liang, J, Choi, J, Clardy, J.
Deposit date:1997-07-01
Release date:1998-03-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
1TPS
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BU of 1tps by Molmil
ATOMIC STRUCTURE OF THE TRYPSIN-A90720A COMPLEX: A UNIFIED APPROACH TO STRUCTURE AND FUNCTION
Descriptor: CALCIUM ION, INHIBITOR A90720A, TRYPSIN
Authors:Lee, A.Y, Clardy, J.
Deposit date:1994-09-04
Release date:1995-01-26
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Atomic structure of the trypsin-A90720A complex: a unified approach to structure and function.
Chem.Biol., 1, 1994
1TYN
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BU of 1tyn by Molmil
ATOMIC STRUCTURE OF THE TRYPSIN-CYCLOTHEONAMIDE A COMPLEX: LESSONS FOR THE DESIGN OF SERINE PROTEASE INHIBITORS
Descriptor: BETA-TRYPSIN, CYCLOTHEONAMIDE A
Authors:Lee, A.Y, Hagihara, M, Karmacharya, R, Albers, M.W, Schreiber, S.L, Clardy, J.
Deposit date:1994-09-19
Release date:1995-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Atomic Structure of the Trypsin-Cyclotheonamide a Complex: Lessons for the Design of Serine Protease Inhibitors
J.Am.Chem.Soc., 115, 1993
1D3G
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BU of 1d3g by Molmil
HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH BREQUINAR ANALOG
Descriptor: 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
Authors:Liu, S, Neidhardt, E.A, Grossman, T.H, Ocain, T, Clardy, J.
Deposit date:1999-09-29
Release date:2000-09-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents.
Structure Fold.Des., 8, 2000
1D3H
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BU of 1d3h by Molmil
HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726
Descriptor: (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ...
Authors:Liu, S, Neidhardt, E.A, Grossman, T.H, Ocain, T, Clardy, J.
Deposit date:1999-09-29
Release date:2000-08-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents.
Structure Fold.Des., 8, 2000
1PBK
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BU of 1pbk by Molmil
HOMOLOGOUS DOMAIN OF HUMAN FKBP25
Descriptor: FKBP25, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
Authors:Liang, J, Hung, D.T, Schreiber, S.L, Clardy, J.
Deposit date:1995-09-01
Release date:1996-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the human 25 kDa FK506 binding protein complexed with rapamycin.
J.Am.Chem.Soc., 118, 1996
1A7X
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BU of 1a7x by Molmil
FKBP12-FK1012 COMPLEX
Descriptor: BENZYL-CARBAMIC ACID [8-DEETHYL-ASCOMYCIN-8-YL]ETHYL ESTER, FKBP12
Authors:Schultz, L.W, Clardy, J.
Deposit date:1998-03-18
Release date:1998-06-17
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chemical inducers of dimerization: the atomic structure of FKBP12-FK1012A-FKBP12.
Bioorg.Med.Chem.Lett., 8, 1998
2P71
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BU of 2p71 by Molmil
Bombyx mori pheromone binding protein bound to iodohexadecane
Descriptor: 1-IODOHEXADECANE, pheromone-binding protein
Authors:Lautenschlager, C.L, Clardy, J.
Deposit date:2007-03-19
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Bombyx mori pheromone-binding protein binding nonpheromone ligands: implications for pheromone recognition.
Structure, 15, 2007
2P70
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BU of 2p70 by Molmil
Bombyx mori pheromone binding protein bound to bell pepper odorant
Descriptor: 2-ISOBUTYL-3-METHOXYPYRAZINE, pheromone-binding protein
Authors:Lautenschlager, C.L, Clardy, J.
Deposit date:2007-03-19
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bombyx mori pheromone-binding protein binding nonpheromone ligands: implications for pheromone recognition.
Structure, 15, 2007
2FJY
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BU of 2fjy by Molmil
Crystal Structure of B-form Bombyx mori Pheromone Binding Protein
Descriptor: Pheromone-binding protein
Authors:Lautenschlager, C, Leal, W.S, Clardy, J.
Deposit date:2006-01-03
Release date:2006-01-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Coil-to-helix transition and ligand release of Bombyx mori pheromone-binding protein.
Biochem.Biophys.Res.Commun., 335, 2005
2G0B
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BU of 2g0b by Molmil
The structure of FeeM, an N-acyl amino acid synthase from uncultured soil microbes
Descriptor: FeeM, N-DODECANOYL-L-TYROSINE
Authors:Van Wagoner, R.M, Clardy, J.
Deposit date:2006-02-11
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:FeeM, an N-Acyl Amino Acid Synthase from an Uncultured Soil Microbe: Structure, Mechanism, and Acyl Carrier Protein Binding.
Structure, 14, 2006
1PHT
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BU of 1pht by Molmil
PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN, RESIDUES 1-85
Descriptor: PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT
Authors:Liang, J, Chen, J.K, Schreiber, S.L, Clardy, J.
Deposit date:1995-08-17
Release date:1995-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of P13K SH3 domain at 20 angstroms resolution.
J.Mol.Biol., 257, 1996
1N52
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BU of 1n52 by Molmil
Cap Binding Complex
Descriptor: 20 kDa nuclear cap binding protein, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, 80 kDa nuclear cap binding protein, ...
Authors:Calero, G, Wilson, K, Ly, T, Rios-Steiner, J, Clardy, J, Cerione, R.
Deposit date:2002-11-04
Release date:2003-02-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural basis of m7GpppG binding to the nuclear cap-binding protein complex.
Nat.Struct.Biol., 9, 2002
1N54
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BU of 1n54 by Molmil
Cap Binding Complex m7GpppG free
Descriptor: 20 kDa nuclear cap binding protein, 80 kDa nuclear cap binding protein, GLYCEROL
Authors:Calero, G, Wilson, K, Ly, T, Rios-Steiner, J, Clardy, J, Cerione, R.
Deposit date:2002-11-04
Release date:2003-02-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural basis of m7GpppG binding to the nuclear cap-binding protein complex.
Nat.Struct.Biol., 9, 2002
1TV5
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BU of 1tv5 by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase with a bound inhibitor
Descriptor: (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, Dihydroorotate dehydrogenase homolog, ...
Authors:Hurt, D.E, Widom, J, Clardy, J.
Deposit date:2004-06-27
Release date:2005-09-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Plasmodium falciparum dihydroorotate dehydrogenase with a bound inhibitor.
Acta Crystallogr.,Sect.D, 62, 2006
1EI9
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BU of 1ei9 by Molmil
CRYSTAL STRUCTURE OF PALMITOYL PROTEIN THIOESTERASE 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITOYL PROTEIN THIOESTERASE 1
Authors:Bellizzi III, J.J, Widom, J, Kemp, C, Lu, J.Y, Das, A.K, Hofmann, S.L, Clardy, J.
Deposit date:2000-02-24
Release date:2000-04-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The crystal structure of palmitoyl protein thioesterase 1 and the molecular basis of infantile neuronal ceroid lipofuscinosis.
Proc.Natl.Acad.Sci.USA, 97, 2000

 

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