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1G9B
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BU of 1g9b by Molmil
CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH AN INHIBITOR (EXPERIMENT 1)
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, BOTULINUM NEUROTOXIN TYPE B, ZINC ION
Authors:Eswaramoorthy, S, Swaminathan, S.
Deposit date:2000-11-22
Release date:2002-11-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Novel Mechanism for Clostridium botulinum Neurotoxin Inhibition
BIOCHEMISTRY, 41, 2002
1G9A
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BU of 1g9a by Molmil
CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH AN INHIBITOR (EXPERIMENT 3)
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, BOTULINUM NEUROTOXIN TYPE B, ZINC ION
Authors:Eswaramoorthy, S, Swaminathan, S.
Deposit date:2000-11-22
Release date:2002-11-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Novel Mechanism for Clostridium botulinum Neurotoxin Inhibition
BIOCHEMISTRY, 41, 2002
1GBA
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BU of 1gba by Molmil
ALPHA-LYTIC PROTEASE WITH MET 190 REPLACED BY ALA AND GLY 216 REPLACED BY ALA
Descriptor: ALPHA-LYTIC PROTEASE, SULFATE ION
Authors:Mace, J.E, Agard, D.A.
Deposit date:1995-09-06
Release date:1996-01-29
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Kinetic and structural characterization of mutations of glycine 216 in alpha-lytic protease: a new target for engineering substrate specificity.
J.Mol.Biol., 254, 1995
1SGM
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BU of 1sgm by Molmil
Crystal Structure of Hypothetical Protein YXAF
Descriptor: Putative HTH-type transcriptional regulator yxaF
Authors:Seetharaman, J, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-02-24
Release date:2004-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative HTH-type transcriptional regulator yxaF from Bacillus subtilis.
Proteins, 63, 2006
1E57
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BU of 1e57 by Molmil
PHYSALIS MOTTLE VIRUS: EMPTY CAPSID
Descriptor: PHYSALIS MOTTLE VIRUS
Authors:Krishna, S.S, Sastri, M, Savithri, H.S, Murthy, M.R.N.
Deposit date:2000-07-18
Release date:2001-04-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Studies on the Empty Capsids of Physalis Mottle Virus
J.Mol.Biol., 307, 2001
1ZCC
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BU of 1zcc by Molmil
Crystal structure of glycerophosphodiester phosphodiesterase from Agrobacterium tumefaciens str.C58
Descriptor: ACETATE ION, SULFATE ION, glycerophosphodiester phosphodiesterase
Authors:Krishnamurthy, N.R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2005-04-11
Release date:2005-05-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of glycerophosphodiester phosphodiesterase from Agrobacterium tumefaciens by SAD with a large asymmetric unit.
Proteins, 65, 2006
4OS7
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BU of 4os7 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK607 (bicyclic)
Descriptor: ACETATE ION, GLYCEROL, SULFATE ION, ...
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2014-02-12
Release date:2014-09-24
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
4A98
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BU of 4a98 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with bromoflurazepam
Descriptor: 7-BROMO-1-[2-(DIETHYLAMINO)ETHYL]-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, CYS-LOOP LIGAND-GATED ION CHANNEL
Authors:Spurny, R, Brams, M, Nury, H, Legrand, P, Ulens, C.
Deposit date:2011-11-24
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Pentameric Ligand-Gated Ion Channel Elic is Activated by Gaba and Modulated by Benzodiazepines.
Proc.Natl.Acad.Sci.USA, 109, 2012
4OS5
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BU of 4os5 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 2)
Descriptor: SULFATE ION, Urokinase-type plasminogen activator, bicyclic peptide UK603 (bicyclic 2)
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2014-02-12
Release date:2014-09-24
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
4P01
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BU of 4p01 by Molmil
Crystal Structure Analysis of Macrophage Migration Inhibitory Factor in complex with N-[(4-cyanophenyl)methyl]methanethioamide
Descriptor: CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-02-19
Release date:2014-03-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4OS1
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BU of 4os1 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK601 (bicyclic 1)
Descriptor: ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ...
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2014-02-12
Release date:2014-09-24
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
4P7S
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BU of 4p7s by Molmil
Crystal structure of PfMIF in complex with 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
Descriptor: 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine, Macrophage migration inhibitory factor-like protein
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-03-27
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors.
J.Med.Chem., 57, 2014
4MT9
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BU of 4mt9 by Molmil
Co-crystal structure of tankyrase 1 with compound 49
Descriptor: N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-09-19
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
4N4V
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BU of 4n4v by Molmil
Co-crystal structure of tankyrase 1 with compound 4 [(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
Descriptor: (4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-10-08
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
1P09
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BU of 1p09 by Molmil
STRUCTURAL PLASTICITY AS A DETERMINANT OF ENZYME SPECIFICITY. CREATING BROADLY SPECIFIC PROTEASES
Descriptor: ALPHA-LYTIC PROTEASE, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1989-04-24
Release date:1990-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural plasticity broadens the specificity of an engineered protease.
Nature, 339, 1989
6DAU
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BU of 6dau by Molmil
Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae
Descriptor: GLYCEROL, Spermidine N1-acetyltransferase
Authors:Filippova, E.V, Minasov, G, Beahan, A, Kulyavtsev, P, Tan, L, Tran, D, Kuhn, M.L, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-05-02
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae.
To be Published
4OS2
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BU of 4os2 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK602 (bicyclic 1)
Descriptor: ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ...
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2014-02-12
Release date:2014-09-24
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
4OGP
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BU of 4ogp by Molmil
Structure of C-terminal domain from S. cerevisiae Pat1 decapping activator (Space group : P21)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA topoisomerase 2-associated protein PAT1
Authors:Fourati-Kammoun, Z, Kolesnikova, O, Back, R, Keller, J, Lazar, N, Gaudon-Plesse, C, Seraphin, B, Graille, M.
Deposit date:2014-01-16
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The C-terminal domain from S. cerevisiae Pat1 displays two conserved regions involved in decapping factor recruitment.
Plos One, 9, 2014
4GUM
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BU of 4gum by Molmil
Cystal structure of locked-trimer of human MIF
Descriptor: CHLORIDE ION, Macrophage migration inhibitory factor
Authors:Fan, C, Lolis, E.
Deposit date:2012-08-29
Release date:2013-07-03
Last modified:2020-11-18
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:MIF intersubunit disulfide mutant antagonist supports activation of CD74 by endogenous MIF trimer at physiologic concentrations.
Proc.Natl.Acad.Sci.USA, 110, 2013
4PLU
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BU of 4plu by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with benzaldehyde
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-05-19
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4PKZ
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BU of 4pkz by Molmil
Crystal structure of P1M mutant of Macrophage Migration Inhibitory Factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-05-15
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4P0H
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BU of 4p0h by Molmil
Crystal Structure Analysis of Macrophage Migration Inhibitory Factor in complex with Dimethylformamide
Descriptor: DIMETHYLFORMAMIDE, GLYCEROL, Macrophage migration inhibitory factor
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-02-21
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4A97
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BU of 4a97 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with zopiclone
Descriptor: (5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate, CYS-LOOP LIGAND-GATED ION CHANNEL
Authors:Spurny, R, Brams, M, Ulens, C.
Deposit date:2011-11-24
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.343 Å)
Cite:Pentameric Ligand-Gated Ion Channel Elic is Activated by Gaba and Modulated by Benzodiazepines.
Proc.Natl.Acad.Sci.USA, 109, 2012
4OJJ
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BU of 4ojj by Molmil
Structure of C-terminal domain from S. cerevisiae Pat1 decapping activator (Space group : P212121)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA topoisomerase 2-associated protein PAT1, ...
Authors:Fourati-Kammoun, Z, Kolesnikova, O, Back, R, Keller, J, Lazar, N, Gaudon-Plesse, C, Seraphin, B, Graille, M.
Deposit date:2014-01-21
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The C-terminal domain from S. cerevisiae Pat1 displays two conserved regions involved in decapping factor recruitment.
Plos One, 9, 2014
4N3R
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BU of 4n3r by Molmil
Co-crystal structure of tankyrase 1 with compound 2 (5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide)
Descriptor: 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-10-07
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013

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