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2YG6
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BU of 2yg6 by Molmil
Structure-based redesign of cofactor binding in Putrescine Oxidase: P15I-A394C double mutant
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PUTRESCINE OXIDASE, ...
Authors:Kopacz, M.M, Rovida, S, van Duijn, E, Fraaije, M.W, Mattevi, A.
Deposit date:2011-04-11
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based redesign of cofactor binding in putrescine oxidase.
Biochemistry, 50, 2011
1RDP
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BU of 1rdp by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV3
Descriptor: 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ...
Authors:Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
Deposit date:2003-11-05
Release date:2004-10-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
5F7L
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BU of 5f7l by Molmil
Blood group antigen binding adhesin BabA of Helicobacter pylori strain 17875 in complex with Nanobody Nb-ER14
Descriptor: Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER14, SULFATE ION
Authors:Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H.
Deposit date:2015-12-08
Release date:2016-01-20
Last modified:2016-01-27
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
5F97
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BU of 5f97 by Molmil
Blood group antigen binding adhesin BabA of Helicobacter pylori strain A730 in complex with blood group A type 1 hexasaccharide
Descriptor: Adhesin binding fucosylated histo-blood group antigen,Adhesin,Adhesin binding fucosylated histo-blood group antigen, Nanbody Nb-ER19, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H.
Deposit date:2015-12-09
Release date:2016-01-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
5HKA
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BU of 5hka by Molmil
Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor
Descriptor: 5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-01-13
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
J.Med.Chem., 59, 2016
5HK9
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BU of 5hk9 by Molmil
Crystal structure of the CFTR inhibitory factor Cif bound to a urea inhibitor
Descriptor: CFTR inhibitory factor, N-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-01-13
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
J.Med.Chem., 59, 2016
1RF2
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BU of 1rf2 by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4
Descriptor: 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ...
Authors:Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
Deposit date:2003-11-07
Release date:2004-10-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
3D6Z
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BU of 3d6z by Molmil
Crystal structure of R275E mutant of BMRR bound to DNA and rhodamine
Descriptor: BMR promoter DNA, GLYCEROL, Multidrug-efflux transporter 1 regulator, ...
Authors:Newberry, K.J, Brennan, R.G.
Deposit date:2008-05-20
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of BmrR-Drug Complexes Reveal a Rigid Multidrug Binding Pocket and Transcription Activation through Tyrosine Expulsion
J.Biol.Chem., 283, 2008
3CSI
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BU of 3csi by Molmil
Crystal Structure of the Glutathione Transferase Pi allelic variant*C, I104V/A113V, in complex with the Chlorambucil-Glutathione Conjugate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
Authors:Parker, L.J.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
1RCV
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BU of 1rcv by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1
Descriptor: [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE, cholera toxin B protein (CTB)
Authors:Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
Deposit date:2003-11-04
Release date:2004-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
3B69
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BU of 3b69 by Molmil
T cruzi Trans-sialidase complex with benzoylated NANA derivative
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CHLORIDE ION, ...
Authors:Buschiazzo, A.
Deposit date:2007-10-28
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A new generation of specific Trypanosoma cruzi trans-sialidase inhibitors.
Angew.Chem.Int.Ed.Engl., 47, 2008
3CSH
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BU of 3csh by Molmil
Crystal Structure of Glutathione Transferase Pi in complex with the Chlorambucil-Glutathione Conjugate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
3CUZ
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BU of 3cuz by Molmil
Atomic Resolution Structures of Escherichia coli and Bacillis anthracis Malate Synthase A: Comparison with Isoform G and Implications for Structure Based Drug Design
Descriptor: MAGNESIUM ION, Malate synthase A
Authors:Lohman, J.R, Remington, S.J.
Deposit date:2008-04-17
Release date:2008-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Atomic resolution structures of Escherichia coli and Bacillus anthracis malate synthase A: comparison with isoform G and implications for structure-based drug discovery
Protein Sci., 17, 2008
1RD9
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BU of 1rd9 by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2
Descriptor: 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HEXAETHYLENE GLYCOL, ...
Authors:Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
Deposit date:2003-11-05
Release date:2004-10-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
3D71
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BU of 3d71 by Molmil
Crystal structure of E253Q BMRR bound to 22 base pair promoter site
Descriptor: BMR promoter DNA, CITRATE ANION, IMIDAZOLE, ...
Authors:Newberry, K.J, Huffman, J.L, Brennan, R.G.
Deposit date:2008-05-20
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of BmrR-Drug Complexes Reveal a Rigid Multidrug Binding Pocket and Transcription Activation through Tyrosine Expulsion
J.Biol.Chem., 283, 2008
3CV2
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BU of 3cv2 by Molmil
Atomic Resolution Structures of Escherichia coli and Bacillis anthracis Malate Synthase A: Comparison with Isoform G and Implications for Structure Based Drug Design
Descriptor: COENZYME A, MAGNESIUM ION, Malate synthase A, ...
Authors:Lohman, J.R, Remington, S.J.
Deposit date:2008-04-17
Release date:2008-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Atomic resolution structures of Escherichia coli and Bacillus anthracis malate synthase A: comparison with isoform G and implications for structure-based drug discovery
Protein Sci., 17, 2008
3CV1
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BU of 3cv1 by Molmil
Atomic Resolution Structures of Escherichia coli and Bacillis anthracis Malate Synthase A: Comparison with Isoform G and Implications for Structure Based Drug Design
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Lohman, J.R.
Deposit date:2008-04-17
Release date:2008-11-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Atomic resolution structures of Escherichia coli and Bacillus anthracis malate synthase A: comparison with isoform G and implications for structure-based drug discovery
Protein Sci., 17, 2008
1RYY
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BU of 1ryy by Molmil
Acetobacter turbidans alpha-amino acid ester hydrolase Y206A mutant
Descriptor: alpha-amino acid ester hydrolase
Authors:Barends, T.R.M.
Deposit date:2003-12-23
Release date:2005-02-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Acetobacter turbidans {alpha}-Amino Acid Ester Hydrolase: HOW A SINGLE MUTATION IMPROVES AN ANTIBIOTIC-PRODUCING ENZYME.
J.Biol.Chem., 281, 2006
1XE4
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BU of 1xe4 by Molmil
Crystal Structure of Weissella viridescens FemX (K36M) Mutant
Descriptor: FemX, MAGNESIUM ION
Authors:Biarrotte-Sorin, S, Maillard, A.P, Arthur, M, Mayer, C.
Deposit date:2004-09-09
Release date:2005-05-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Site-Directed Mutagenesis of the UDP-MurNAc-Pentapeptide-Binding Cavity of the FemX Alanyl Transferase from Weissella viridescens
J.Bacteriol., 187, 2005
3MSY
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BU of 3msy by Molmil
Crystal Structure of Mandelate racemase/muconate lactonizing enzyme from a Marine actinobacterium
Descriptor: Mandelate racemase/muconate lactonizing enzyme
Authors:Satyanarayana, L, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-04-29
Release date:2010-06-30
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Mandelate racemase/muconate lactonizing enzyme from a Marine actinobacterium
To be Published
1XFH
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BU of 1xfh by Molmil
Structure of glutamate transporter homolog from Pyrococcus horikoshii
Descriptor: proton glutamate symport protein
Authors:Yernool, D, Boudker, O, Jin, Y, Gouaux, E.
Deposit date:2004-09-14
Release date:2004-10-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a glutamate transporter homologue from Pyrococcus horikoshii
Nature, 431, 2004
3NDZ
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BU of 3ndz by Molmil
The structure of the catalytic and carbohydrate binding domain of endoglucanase D from Clostridium cellulovorans bound to cellotriose
Descriptor: Endoglucanase D, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Bianchetti, C.M, Smith, R.W, Bingman, C.A, Phillips Jr, G.N.
Deposit date:2010-06-08
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The structure of the catalytic and carbohydrate binding domain of endoglucanase D bound to cellotriose
To be Published
3NDY
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BU of 3ndy by Molmil
The structure of the catalytic and carbohydrate binding domain of endoglucanase D from Clostridium cellulovorans
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase D
Authors:Bianchetti, C.M, Smith, R.W, Bingman, C.A, Phillips Jr, G.N.
Deposit date:2010-06-08
Release date:2010-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of the catalytic and carbohydrate binding domain of endoglucanase D
To be Published
3NYC
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BU of 3nyc by Molmil
Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase
Descriptor: (2E)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid, D-Arginine Dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fu, G, Weber, I.T.
Deposit date:2010-07-14
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Conformational changes and substrate recognition in Pseudomonas aeruginosa D-arginine dehydrogenase.
Biochemistry, 49, 2010
3NO1
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BU of 3no1 by Molmil
Crystal Structure of Mandelate racemase/muconate lactonizing enzyme from a Marine actinobacterium in complex with magnesium
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors:Satyanarayana, L, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-06-24
Release date:2010-07-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal Structure of Mandelate racemase/muconate lactonizing enzyme from a Marine actinobacterium in complex with magnesium
To be Published

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