3ICZ
 
 | | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 1-(2,2-Bis-phosphono-ethyl)-3-butyl-pyridinium and isopentenyl pyrophosphate | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, ... | | Authors: | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | | Deposit date: | 2009-07-19 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
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3IF7
 | | Structure of Calmodulin complexed with its first endogenous inhibitor, sphingosylphosphorylcholine | | Descriptor: | 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium, CALCIUM ION, Calmodulin | | Authors: | Kovacs, E, Harmat, V, Toth, J, Vertessy, B.G, Modos, K, Kardos, J, Liliom, K. | | Deposit date: | 2009-07-24 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and mechanism of calmodulin binding to a signaling sphingolipid reveal new aspects of lipid-protein interactions
Faseb J., 24, 2010
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3F6E
 | | Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor 3-PKB | | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION | | Authors: | Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F. | | Deposit date: | 2008-11-05 | | Release date: | 2008-12-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase.
Biochemistry, 48, 2009
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3IR5
 | | Crystal structure of NarGHI mutant NarG-H49C | | 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, Weiner, J.H, Strynadka, N.C.J. | | Deposit date: | 2009-08-21 | | Release date: | 2010-01-05 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Protein crystallography reveals a role for the FS0 cluster of Escherichia coli nitrate reductase A (NarGHI) in enzyme maturation.
J.Biol.Chem., 285, 2010
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3F6B
 | | Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor PAA | | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION | | Authors: | Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F. | | Deposit date: | 2008-11-05 | | Release date: | 2008-12-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase.
Biochemistry, 48, 2009
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3G8E
 | | Crystal Structure of Rattus norvegicus Visfatin/PBEF/Nampt in Complex with an FK866-based inhibitor | | Descriptor: | 3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium, Nicotinamide phosphoribosyltransferase | | Authors: | Kang, G.B, Bae, M.H, Kim, M.K, Im, I, Kim, Y.C, Eom, S.H. | | Deposit date: | 2009-02-12 | | Release date: | 2009-08-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of Rattus norvegicus Visfatin/PBEF/Nampt in complex with an FK866-based inhibitor
Mol.Cells, 27, 2009
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3IR7
 | | Crystal structure of NarGHI mutant NarG-R94S | | 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, Weiner, J.H, Strynadka, N.C.J. | | Deposit date: | 2009-08-21 | | Release date: | 2010-01-05 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Protein crystallography reveals a role for the FS0 cluster of Escherichia coli nitrate reductase A (NarGHI) in enzyme maturation.
J.Biol.Chem., 285, 2010
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3IWW
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6X3C
 | | Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F1037 (47) | | Descriptor: | (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Chaires, H.A, Fraser, J.S. | | Deposit date: | 2020-05-21 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
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6H45
 | | crystal structure of the human TGT catalytic subunit QTRT1 in complex with queuine | | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Johannsson, S, Neumann, P, Ficner, R. | | Deposit date: | 2018-07-20 | | Release date: | 2018-09-05 | | Last modified: | 2023-03-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the Human tRNA Guanine Transglycosylase Catalytic Subunit QTRT1.
Biomolecules, 8, 2018
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6X40
 | | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus picrotoxin | | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
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6H7P
 | | Reductive Aminase from Aspergillus terreus in complex with NADPH4, cyclohexanone and allyl amine | | Descriptor: | CYCLOHEXANONE, Reductive Aminase, [[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, ... | | Authors: | Sharma, M, Grogan, G, Mangas-Sanchez, J, Turner, N.J. | | Deposit date: | 2018-07-31 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure of Reductive Aminase from Aspergillus terreus
Acs Catalysis, 2018
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6H4H
 | | Usp28 catalytic domain variant E593D in complex with UbPA | | Descriptor: | Polyubiquitin-B, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 28, ... | | Authors: | Klemm, T.A, Sauer, F, Kisker, C. | | Deposit date: | 2018-07-21 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Differential Oligomerization of the Deubiquitinases USP25 and USP28 Regulates Their Activities.
Mol.Cell, 74, 2019
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4MBC
 | | Structure of Streptococcus pneumonia ParE in complex with AZ13053807 | | Descriptor: | 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit | | Authors: | Ogg, D, Tucker, J. | | Deposit date: | 2013-08-19 | | Release date: | 2013-10-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
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4MBK
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7G20
 | | Crystal Structure of human FABP4 in complex with 1-[(4-methoxyphenyl)methyl]-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione | | Descriptor: | (5S)-1-[(4-methoxyphenyl)methyl]-5-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione, 1,2-ETHANEDIOL, FORMIC ACID, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Schnider, O, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FW2
 | | Crystal Structure of human FABP4 in complex with 5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol | | Descriptor: | 5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FZL
 | | Crystal Structure of human FABP4 in complex with 3-(3-chlorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione | | Descriptor: | (5P)-5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FZV
 | | Crystal Structure of human FABP4 in complex with 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one | | Descriptor: | 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]pyridin-2(1H)-one, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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4MKV
 | | Structure of Pisum sativum Rubisco with ABA | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, PHOSPHATE ION, RIBULOSE-1,5-DIPHOSPHATE, ... | | Authors: | Loewen, M.C, Loewen, P.C, Switala, J. | | Deposit date: | 2013-09-05 | | Release date: | 2013-10-16 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of Interactions between Abscisic Acid and Ribulose-1,5-Bisphosphate Carboxylase/Oxygenase.
Plos One, 10, 2015
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7FYK
 | | Crystal Structure of human FABP4 in complex with 5-phenylmethoxy-4-prop-2-enyl-1,2,4-triazole-3-thiol | | Descriptor: | 5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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6WW0
 | | Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog | | Descriptor: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | | Deposit date: | 2020-05-07 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
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4NT2
 | | Crystal structure of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with lyso-sphingomyelin (d18:1) at 2.4 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium, SULFATE ION, ... | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-11-29 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
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6HUG
 | | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with picrotoxin and megabody Mb38. | | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ... | | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2018-10-08 | | Release date: | 2019-01-02 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
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6HOP
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