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1W1L
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STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE: Phe454Tyr Mutant
Descriptor: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol, FLAVIN-ADENINE DINUCLEOTIDE, VANILLYL-ALCOHOL OXIDASE
Authors:Van Den Heuvel, R.H.
Deposit date:2004-06-22
Release date:2004-07-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Laboratory-Evolved Vanillyl-Alcohol Oxidase Produces Natural Vanillin
J.Biol.Chem., 279, 2004
1W1J
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STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE: The505Ser Mutant
Descriptor: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol, FLAVIN-ADENINE DINUCLEOTIDE, VANILLYL-ALCOHOL OXIDASE
Authors:Van Den Heuvel, R.H.
Deposit date:2004-06-22
Release date:2004-07-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Laboratory-Evolved Vanillyl-Alcohol Oxidase Produces Natural Vanillin
J.Biol.Chem., 279, 2004
2W4Q
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Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in ternary complex with NADP and 18beta-glycyrrhetinic acid
Descriptor: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2, ...
Authors:Shafqat, N, Yue, W.W, Ugochukwu, E, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2008-11-30
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
2W0V
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Crystal structure of Glmu from Haemophilus influenzae in complex with quinazoline inhibitor 1
Descriptor: 6-(CYCLOPROP-2-EN-1-YLMETHOXY)-2-[6-(CYCLOPROPYLMETHYL)-5-OXO-3,4,5,6-TETRAHYDRO-2,6-NAPHTHYRIDIN-2(1H)-YL]-7-METHOXYQUINAZOLIN-4(3H)-ONE, GLUCOSAMINE-1-PHOSPHATE N-ACETYLTRANSFERASE, SULFATE ION, ...
Authors:Mochalkin, I, Melnick, M.
Deposit date:2008-10-10
Release date:2009-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery and Initial Sar of Quinazoline Inhibitors of Glmu from Haemophilus Influenzae
To be Published
2VBQ
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Structure of AAC(6')-Iy in complex with bisubstrate analog CoA-S- monomethyl-acetylneamine.
Descriptor: (3R,9Z)-17-[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate, AMINOGLYCOSIDE 6'-N-ACETYLTRANSFERASE, GLYCEROL, ...
Authors:Vetting, M.W, Magalhaes, M.L, Freiburger, L, Gao, F, Auclair, K, Blanchard, J.S.
Deposit date:2007-09-14
Release date:2008-01-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and Structural Analysis of Bisubstrate Inhibition of the Salmonella Enterica Aminoglycoside 6'-N-Acetyltransferase.
Biochemistry, 47, 2008
2W8Y
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RU486 bound to the progesterone receptor in a destabilized agonistic conformation
Descriptor: (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one, 1,2-ETHANEDIOL, 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, ...
Authors:Raaijmakers, H.C.A, Versteeg, J, Uitdehaag, J.C.M.
Deposit date:2009-01-20
Release date:2009-04-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The X-Ray Structure of Ru486 Bound to the Progesterone Receptor in a Destabilized Agonistic Conformation.
J.Biol.Chem., 284, 2009
2WCM
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Structure of BMori GOBP2 (General Odorant Binding Protein 2) with (10E)-hexadecen-12-yn-1-ol
Descriptor: (10E)-hexadec-10-en-12-yn-1-ol, GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION
Authors:Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H.
Deposit date:2009-03-12
Release date:2009-08-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components.
J.Mol.Biol., 389, 2009
2V34
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IspE in complex with cytidine and ligand
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ...
Authors:Sgraja, T, Alphey, M.S, Hunter, W.N.
Deposit date:2007-06-11
Release date:2007-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery.
FEBS J., 275, 2008
2VAO
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STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH ISOEUGENOL
Descriptor: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol, FLAVIN-ADENINE DINUCLEOTIDE, VANILLYL-ALCOHOL OXIDASE
Authors:Mattevi, A.
Deposit date:1997-04-10
Release date:1997-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures and inhibitor binding in the octameric flavoenzyme vanillyl-alcohol oxidase: the shape of the active-site cavity controls substrate specificity.
Structure, 5, 1997
1Y4Z
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The crystal structure of Nitrate Reductase A, NarGHI, in complex with the Q-site inhibitor pentachlorophenol
Descriptor: (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Bertero, M.G, Rothery, R.A, Boroumand, N, Palak, M, Blasco, F, Ginet, N, Weiner, J.H, Strynadka, N.C.J.
Deposit date:2004-12-01
Release date:2005-03-08
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Characterization of a Quinol Binding Site of Escherichia coli Nitrate Reductase A
J.Biol.Chem., 280, 2005
1Z5X
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hemipteran ecdysone receptor ligand-binding domain complexed with ponasterone A
Descriptor: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone receptor ligand binding domain, PHOSPHATE ION, ...
Authors:Carmichael, J.A, Lawrence, M.C, Graham, L.D, Pilling, P.A, Epa, V.C, Noyce, L, Lovrecz, G, Winkler, D.A, Pawlak-Skrzecz, A.
Deposit date:2005-03-21
Release date:2005-04-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:The X-ray structure of a hemipteran ecdysone receptor ligand-binding domain: comparison with a lepidopteran ecdysone receptor ligand-binding domain and implications for insecticide design.
J.Biol.Chem., 280, 2005
3T65
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S25-2- A(2-8)KDO disaccharide complex
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S25-2 FAB (IGG1K) heavy chain, ...
Authors:Nguyen, H.P, Seto, N.O, Mackenzie, C.R, Brade, L, Kosma, P, Brade, H, Evans, S.V.
Deposit date:2011-07-28
Release date:2011-08-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Germline antibody recognition of distinct carbohydrate epitopes.
Nat.Struct.Biol., 10, 2003
1Y5L
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The crystal structure of the NarGHI mutant NarI-H66Y
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Bertero, M.G, Rothery, R.A, Boroumand, N, Palak, M, Blasco, F, Ginet, N, Weiner, J.H, Strynadka, N.C.J.
Deposit date:2004-12-02
Release date:2005-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Biochemical Characterization of a Quinol Binding Site of Escherichia coli Nitrate Reductase A
J.Biol.Chem., 280, 2005
2R2E
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BU of 2r2e by Molmil
Crystal structure of S25-2 Fab in complex with Kdo analogues
Descriptor: Fab, antibody fragment (IgG1k), heavy chain, ...
Authors:Brooks, C.L, Evans, S.V.
Deposit date:2007-08-24
Release date:2008-12-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
J.Mol.Biol., 377, 2008
1ZKY
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BU of 1zky by Molmil
Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-3M and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide
Descriptor: 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S, Hsieh, R.W, Sharma, S.K, Hahm, J.B, Nettles, K.W, Greene, G.L.
Deposit date:2005-05-04
Release date:2006-05-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
2QIQ
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Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors
Descriptor: ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE, Replicase polyprotein 1ab
Authors:Grum-Tokars, V.
Deposit date:2007-07-05
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
1Y5N
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BU of 1y5n by Molmil
The crystal structure of the NarGHI mutant NarI-K86A in complex with pentachlorophenol
Descriptor: (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, FE3-S4 CLUSTER, ...
Authors:Bertero, M.G, Rothery, R.A, Boroumand, N, Palak, M, Blasco, F, Ginet, N, Weiner, J.H, Strynadka, N.C.J.
Deposit date:2004-12-02
Release date:2005-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Biochemical Characterization of a Quinol Binding Site of Escherichia coli Nitrate Reductase A
J.Biol.Chem., 280, 2005
7XVE
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Human Nav1.7 mutant class-I
Descriptor: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
Deposit date:2022-05-21
Release date:2022-08-10
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
1Y5I
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The crystal structure of the NarGHI mutant NarI-K86A
Descriptor: (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, FE3-S4 CLUSTER, ...
Authors:Bertero, M.G, Rothery, R.A, Boroumand, N, Palak, M, Blasco, F, Ginet, N, Weiner, J.H, Strynadka, N.C.J.
Deposit date:2004-12-02
Release date:2005-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Biochemical Characterization of a Quinol Binding Site of Escherichia coli Nitrate Reductase A
J.Biol.Chem., 280, 2005
7XVF
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Nav1.7 mutant class2
Descriptor: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
Deposit date:2022-05-22
Release date:2022-08-10
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
2QU9
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Crystal structure of the complex of group II phospholipase A2 with Eugenol
Descriptor: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION
Authors:Kumar, S, Vikram, G, Singh, N, Sinha, M, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P.
Deposit date:2007-08-04
Release date:2007-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of the complex of group II phospholipase A2 with Eugenol
To be Published
2QV4
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Human pancreatic alpha-amylase complexed with nitrite and acarbose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose, CALCIUM ION, ...
Authors:Williams, L.K, Maurus, R, Brayer, G.D.
Deposit date:2007-08-07
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
2RID
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BU of 2rid by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with Allyl 7-O-carbamoyl-L-glycero-D-manno-heptopyranoside
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside
Authors:Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
Deposit date:2007-10-10
Release date:2008-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
1X8I
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Crystal Structure of the Zinc Carbapenemase CphA in Complex with the Antibiotic Biapenem
Descriptor: 5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM, 6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2004-08-18
Release date:2004-12-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Metallo-beta-lactamase Enzyme in Action: Crystal Structures of the Monozinc Carbapenemase CphA and its Complex with Biapenem
J.Mol.Biol., 345, 2005
1ZS5
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Structure-based evaluation of selective and non-selective small molecules that block HIV-1 TAT and PCAF association
Descriptor: (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE, Histone acetyltransferase PCAF
Authors:Zeng, L, Godbole, S, Muller, M, Yan, S, Sanchez, R, Zhou, M.
Deposit date:2005-05-23
Release date:2006-05-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure-based evaluation of selective nad non-selective small molecules that block hiv-1 tat and pcaf association
TO BE PUBLISHED

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