2GES
 
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-I (RT) | | Descriptor: | Pantothenate kinase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | | Authors: | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | | Deposit date: | 2006-03-20 | | Release date: | 2006-06-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK.
Acta Crystallogr.,Sect.D, 62, 2006
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2GEU
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-II (RT) | | Descriptor: | Pantothenate kinase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | | Authors: | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | | Deposit date: | 2006-03-20 | | Release date: | 2006-06-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK.
Acta Crystallogr.,Sect.D, 62, 2006
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1YON
 | | Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate | | Descriptor: | 2-dehydropantoate 2-reductase, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Authors: | Ciulli, A, Lobley, C.M.C, Tuck, K.L, Williams, G, Smith, A.G, Blundell, T.L, Abell, C. | | Deposit date: | 2005-01-28 | | Release date: | 2006-04-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.
Acta Crystallogr.,Sect.D, 63, 2007
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6QMF
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7FV8
 | | PanDDA analysis group deposition -- PHIP in complex with Z964297186 | | Descriptor: | 4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide, PH-interacting protein | | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | | Deposit date: | 2023-03-09 | | Release date: | 2023-03-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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2A75
 | | Trypanosoma rangeli Sialidase In Complex With 2,3- Difluorosialic Acid (Covalent Intermediate) | | Descriptor: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, SULFATE ION, sialidase | | Authors: | Amaya, M.F, Alzari, P.M, Buschiazzo, A. | | Deposit date: | 2005-07-04 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Kinetic Analysis of Two Covalent Sialosyl-Enzyme Intermediates on Trypanosoma rangeli Sialidase.
J.Biol.Chem., 281, 2006
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3FWH
 | | Structure of haloalkane dehalogenase mutant Dha15 (I135F/C176Y) from Rhodococcus rhodochrous | | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | | Authors: | Gavira, J.A, Stsiapanava, A, Kuty, M, Dohnalek, J, Lapkouski, M, Kuta Smatanova, I. | | Deposit date: | 2009-01-18 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
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2AGS
 | | Trypanosoma rangeli Sialidase in Complex with 2-Keto-3-deoxy-D-glycero-D-galacto-2,3-difluoro-nononic acid (2,3-difluoro-KDN) | | Descriptor: | 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, SULFATE ION, sialidase | | Authors: | Amaya, M.F, Alzari, P.M, Buschiazzo, A. | | Deposit date: | 2005-07-27 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Kinetic Analysis of Two Covalent Sialosyl-Enzyme Intermediates on Trypanosoma rangeli Sialidase.
J.Biol.Chem., 281, 2006
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3G9X
 | | Structure of haloalkane dehalogenase DhaA14 mutant I135F from Rhodococcus rhodochrous | | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | | Authors: | Gavira, J.A, Stsiapanava, A, Kuty, M, Lapkouski, M, Dohnalek, J, Kuta Smatanova, I. | | Deposit date: | 2009-02-15 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
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1YHK
 | | Trypanosoma cruzi farnesyl diphosphate synthase | | Descriptor: | SULFATE ION, farnesyl pyrophosphate synthase | | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | | Deposit date: | 2005-01-09 | | Release date: | 2005-12-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
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6PTQ
 | | Dark, Room Temperature, PCM Myxobacterial Phytochrome, P2, Wild Type | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, BENZAMIDINE, Photoreceptor-histidine kinase BphP | | Authors: | Pandey, S, Schmidt, M, Stojkovic, E.A. | | Deposit date: | 2019-07-16 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
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6PTX
 | | Dark, 100K, PCM Myxobacterial Phytochrome, P2, Wild Type, | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | | Authors: | Pandey, S, Schmidt, M, Stojkovic, E.A. | | Deposit date: | 2019-07-16 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
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3H9D
 | | Crystal Structure of Trypanosoma brucei ATG8 | | Descriptor: | CALCIUM ION, Microtubule-associated protein 1A/1B, light chain 3, ... | | Authors: | Koopmann, R, Muhammad, K, Perbandt, M, Betzel, C, Duszenko, M. | | Deposit date: | 2009-04-30 | | Release date: | 2009-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Trypanosoma brucei ATG8: structural insights into autophagic-like mechanisms in protozoa.
Autophagy, 5, 2009
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7T1G
 | | Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385595 | | Descriptor: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine, Pantothenate kinase CAB1 | | Authors: | Gihaz, S, Ben Mamoun, C. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
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7GOQ
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z220996120 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GOX
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z33452106 | | Descriptor: | DIMETHYL SULFOXIDE, Protease 3C, ~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GP6
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53116498 | | Descriptor: | 3-(2-methyl-1H-benzimidazol-1-yl)propanamide, DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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1N2O
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1HCY
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7UL4
 | | CryoEM Structure of Inactive MOR Bound to Alvimopan and Mb6 | | Descriptor: | Megabody 6, Mu-type opioid receptor, N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine | | Authors: | Robertson, M.J, Skiniotis, G. | | Deposit date: | 2022-04-03 | | Release date: | 2022-06-29 | | Last modified: | 2022-12-28 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
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1QKY
 | | Solution structure of PI7, a non toxic peptide isolated from the scorpion Pandinus Imperator. | | Descriptor: | TOXIN 7 FROM PANDINUS IMPERATOR | | Authors: | Delepierre, M, Prochnicka-Chalufour, A, Boisbouvier, J, Possani, L.D. | | Deposit date: | 1999-08-17 | | Release date: | 2000-02-03 | | Last modified: | 2020-01-15 | | Method: | SOLUTION NMR | | Cite: | Pi7, an orphan peptide from the scorpion Pandinus imperator: a 1H-NMR analysis using a nano-NMR Probe.
Biochemistry, 38, 1999
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1OD6
 | | The Crystal Structure of Phosphopantetheine adenylyltransferase from Thermus Thermophilus in complex with 4'-phosphopantetheine | | Descriptor: | 4'-PHOSPHOPANTETHEINE, PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE, SULFATE ION | | Authors: | Takahashi, H, Inagaki, E, Miyano, M, Tahirov, T.H. | | Deposit date: | 2003-02-13 | | Release date: | 2003-03-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure and Implications for the Thermal Stability of Phosphopantetheine Adenylyltransferase from Thermus Thermophilus.
Acta Crystallogr.,Sect.D, 60, 2004
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1HC1
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8OZZ
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1J0A
 | | Crystal Structure Analysis of the ACC deaminase homologue | | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, ISOPROPYL ALCOHOL, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Fujino, A, Ose, T, Honma, M, Yao, M, Tanaka, I. | | Deposit date: | 2002-11-12 | | Release date: | 2003-05-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and enzymatic properties of 1-aminocyclopropane-1-carboxylate deaminase homologue from Pyrococcus horikoshii
J.Mol.Biol., 341, 2004
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