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2GES
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Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-I (RT)
分子名称: 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
著者Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M.
登録日2006-03-20
公開日2006-06-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK.
Acta Crystallogr.,Sect.D, 62, 2006
2GEU
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Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-II (RT)
分子名称: 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
著者Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M.
登録日2006-03-20
公開日2006-06-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK.
Acta Crystallogr.,Sect.D, 62, 2006
1YON
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BU of 1yon by Molmil
Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate
分子名称: 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
著者Ciulli, A, Lobley, C.M.C, Tuck, K.L, Williams, G, Smith, A.G, Blundell, T.L, Abell, C.
登録日2005-01-28
公開日2006-04-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.
Acta Crystallogr.,Sect.D, 63, 2007
6QMF
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BU of 6qmf by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 5-[3-(1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid at 1.8A resolution.
分子名称: 3-indol-1-ylpropanoic acid, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase
著者Blaszczyk, M, Blundell, T.L.
登録日2019-02-07
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
7FV8
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BU of 7fv8 by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z964297186
分子名称: 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
著者Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
登録日2023-03-09
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献PanDDA analysis group deposition
To Be Published
2A75
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Trypanosoma rangeli Sialidase In Complex With 2,3- Difluorosialic Acid (Covalent Intermediate)
分子名称: 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, SULFATE ION, sialidase
著者Amaya, M.F, Alzari, P.M, Buschiazzo, A.
登録日2005-07-04
公開日2005-11-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Kinetic Analysis of Two Covalent Sialosyl-Enzyme Intermediates on Trypanosoma rangeli Sialidase.
J.Biol.Chem., 281, 2006
3FWH
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BU of 3fwh by Molmil
Structure of haloalkane dehalogenase mutant Dha15 (I135F/C176Y) from Rhodococcus rhodochrous
分子名称: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Gavira, J.A, Stsiapanava, A, Kuty, M, Dohnalek, J, Lapkouski, M, Kuta Smatanova, I.
登録日2009-01-18
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
2AGS
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BU of 2ags by Molmil
Trypanosoma rangeli Sialidase in Complex with 2-Keto-3-deoxy-D-glycero-D-galacto-2,3-difluoro-nononic acid (2,3-difluoro-KDN)
分子名称: 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, SULFATE ION, sialidase
著者Amaya, M.F, Alzari, P.M, Buschiazzo, A.
登録日2005-07-27
公開日2005-11-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Kinetic Analysis of Two Covalent Sialosyl-Enzyme Intermediates on Trypanosoma rangeli Sialidase.
J.Biol.Chem., 281, 2006
3G9X
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BU of 3g9x by Molmil
Structure of haloalkane dehalogenase DhaA14 mutant I135F from Rhodococcus rhodochrous
分子名称: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Gavira, J.A, Stsiapanava, A, Kuty, M, Lapkouski, M, Dohnalek, J, Kuta Smatanova, I.
登録日2009-02-15
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
1YHK
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BU of 1yhk by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase
分子名称: SULFATE ION, farnesyl pyrophosphate synthase
著者Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M.
登録日2005-01-09
公開日2005-12-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
6PTQ
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BU of 6ptq by Molmil
Dark, Room Temperature, PCM Myxobacterial Phytochrome, P2, Wild Type
分子名称: 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
著者Pandey, S, Schmidt, M, Stojkovic, E.A.
登録日2019-07-16
公開日2019-10-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
6PTX
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Dark, 100K, PCM Myxobacterial Phytochrome, P2, Wild Type,
分子名称: 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
著者Pandey, S, Schmidt, M, Stojkovic, E.A.
登録日2019-07-16
公開日2019-10-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
3H9D
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BU of 3h9d by Molmil
Crystal Structure of Trypanosoma brucei ATG8
分子名称: CALCIUM ION, Microtubule-associated protein 1A/1B, light chain 3, ...
著者Koopmann, R, Muhammad, K, Perbandt, M, Betzel, C, Duszenko, M.
登録日2009-04-30
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Trypanosoma brucei ATG8: structural insights into autophagic-like mechanisms in protozoa.
Autophagy, 5, 2009
7T1G
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BU of 7t1g by Molmil
Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385595
分子名称: (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
著者Gihaz, S, Ben Mamoun, C.
登録日2021-12-01
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
7GOQ
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BU of 7goq by Molmil
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z220996120
分子名称: DIMETHYL SULFOXIDE, N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide, Protease 3C
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GOX
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BU of 7gox by Molmil
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z33452106
分子名称: DIMETHYL SULFOXIDE, Protease 3C, ~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GP6
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BU of 7gp6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53116498
分子名称: 3-(2-methyl-1H-benzimidazol-1-yl)propanamide, DIMETHYL SULFOXIDE, Protease 3C
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献PanDDA analysis group deposition
To Be Published
1N2O
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BU of 1n2o by Molmil
Crystal Structure of Pantothenate Synthetase from M. tuberculosis, low occupancy of beta-alanine at the pantoate binding sites
分子名称: BETA-ALANINE, SULFATE ION, pantothenate synthetase
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-23
公開日2003-04-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1HCY
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BU of 1hcy by Molmil
CRYSTAL STRUCTURE OF HEXAMERIC HAEMOCYANIN FROM PANULIRUS INTERRUPTUS REFINED AT 3.2 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARTHROPODAN HEMOCYANIN, COPPER (II) ION
著者Volbeda, A, Hol, W.G.J.
登録日1991-05-15
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 A resolution.
J.Mol.Biol., 209, 1989
7UL4
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BU of 7ul4 by Molmil
CryoEM Structure of Inactive MOR Bound to Alvimopan and Mb6
分子名称: Megabody 6, Mu-type opioid receptor, N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine
著者Robertson, M.J, Skiniotis, G.
登録日2022-04-03
公開日2022-06-29
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
1QKY
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BU of 1qky by Molmil
Solution structure of PI7, a non toxic peptide isolated from the scorpion Pandinus Imperator.
分子名称: TOXIN 7 FROM PANDINUS IMPERATOR
著者Delepierre, M, Prochnicka-Chalufour, A, Boisbouvier, J, Possani, L.D.
登録日1999-08-17
公開日2000-02-03
最終更新日2020-01-15
実験手法SOLUTION NMR
主引用文献Pi7, an orphan peptide from the scorpion Pandinus imperator: a 1H-NMR analysis using a nano-NMR Probe.
Biochemistry, 38, 1999
1OD6
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BU of 1od6 by Molmil
The Crystal Structure of Phosphopantetheine adenylyltransferase from Thermus Thermophilus in complex with 4'-phosphopantetheine
分子名称: 4'-PHOSPHOPANTETHEINE, PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE, SULFATE ION
著者Takahashi, H, Inagaki, E, Miyano, M, Tahirov, T.H.
登録日2003-02-13
公開日2003-03-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and Implications for the Thermal Stability of Phosphopantetheine Adenylyltransferase from Thermus Thermophilus.
Acta Crystallogr.,Sect.D, 60, 2004
1HC1
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CRYSTAL STRUCTURE OF HEXAMERIC HAEMOCYANIN FROM PANULIRUS INTERRUPTUS REFINED AT 3.2 ANGSTROMS RESOLUTION
分子名称: ARTHROPODAN HEMOCYANIN, COPPER (II) ION
著者Volbeda, A, Hol, W.G.J.
登録日1991-05-15
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 A resolution.
J.Mol.Biol., 209, 1989
8OZZ
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BU of 8ozz by Molmil
PH domain of AKT-like kinase in Trypanosoma cruzi
分子名称: PH domain of Akt-like kinase in Trypanosoma cruzi
著者Stadler, K.A, Ortiz-Joya, L.J, Zangger, K, Gubensaek, N.
登録日2023-05-09
公開日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural investigation of Trypanosoma cruzi Akt-like kinase as drug target against Chagas disease.
Sci Rep, 14, 2024
1J0A
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BU of 1j0a by Molmil
Crystal Structure Analysis of the ACC deaminase homologue
分子名称: 1-aminocyclopropane-1-carboxylate deaminase, ISOPROPYL ALCOHOL, PYRIDOXAL-5'-PHOSPHATE, ...
著者Fujino, A, Ose, T, Honma, M, Yao, M, Tanaka, I.
登録日2002-11-12
公開日2003-05-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and enzymatic properties of 1-aminocyclopropane-1-carboxylate deaminase homologue from Pyrococcus horikoshii
J.Mol.Biol., 341, 2004

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