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4BS0
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BU of 4bs0 by Molmil
Crystal Structure of Kemp Eliminase HG3.17 E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, KEMP ELIMINASE HG3.17, SULFATE ION
Authors:Blomberg, R, Kries, H, Pinkas, D.M, Mittl, P.R.E, Gruetter, M.G, Privett, H.K, Mayo, S, Hilvert, D.
Deposit date:2013-06-06
Release date:2013-10-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Precision is Essential for Efficient Catalysis in an Evolved Kemp Eliminase
Nature, 503, 2013
2RK1
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BU of 2rk1 by Molmil
DHFR R67 Complexed with NADP and dihydrofolate
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, DIHYDROFOLIC ACID, Dihydrofolate reductase type 2, ...
Authors:Krahn, J.M, London, R.E.
Deposit date:2007-10-16
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structure of a type II dihydrofolate reductase catalytic ternary complex.
Biochemistry, 46, 2007
4XB2
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BU of 4xb2 by Molmil
Hyperthermophilic archaeal homoserine dehydrogenase mutant in complex with NADPH
Descriptor: 319aa long hypothetical homoserine dehydrogenase, L-HOMOSERINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sakuraba, H, Inoue, S, Yoneda, K, Ohshima, T.
Deposit date:2014-12-16
Release date:2015-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal Structures of a Hyperthermophilic Archaeal Homoserine Dehydrogenase Suggest a Novel Cofactor Binding Mode for Oxidoreductases.
Sci Rep, 5, 2015
2RK2
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BU of 2rk2 by Molmil
DHFR R-67 complexed with NADP
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Dihydrofolate reductase type 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Krahn, J.M, London, R.E.
Deposit date:2007-10-16
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a type II dihydrofolate reductase catalytic ternary complex.
Biochemistry, 46, 2007
7C1B
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BU of 7c1b by Molmil
Crystal structure of a dinucleotide-binding protein (F79A/Y224A/Y246A and deletion of residues 50-75) of ABC transporter (unbound form)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sugar ABC transporter, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-02
Release date:2021-03-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
7BFL
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BU of 7bfl by Molmil
X-ray structure of SS-RNase-2 des116-120
Descriptor: Angiogenin-1
Authors:Sica, F, Russo Krauss, I, Troisi, R.
Deposit date:2021-01-04
Release date:2021-04-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:The structural features of an ancient ribonuclease from Salmo salar reveal an intriguing case of auto-inhibition.
Int.J.Biol.Macromol., 182, 2021
7BFK
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BU of 7bfk by Molmil
X-ray structure of SS-RNase-2
Descriptor: Angiogenin-1
Authors:Sica, F, Russo Krauss, I, Troisi, R.
Deposit date:2021-01-04
Release date:2021-04-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The structural features of an ancient ribonuclease from Salmo salar reveal an intriguing case of auto-inhibition.
Int.J.Biol.Macromol., 182, 2021
7BMT
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BU of 7bmt by Molmil
HEWL in sodium chloride
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ...
Authors:Koelmel, W, Kuper, J, Kisker, C.
Deposit date:2021-01-20
Release date:2021-10-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
4XUG
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BU of 4xug by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site.
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, AMMONIUM ION, ...
Authors:Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2015-01-25
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site.
To Be Published
1VA4
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BU of 1va4 by Molmil
Pseudomonas fluorescens aryl esterase
Descriptor: Arylesterase, GLYCEROL
Authors:Cheeseman, J.D, Tocilj, A, Park, S, Schrag, J.D, Kazlauskas, R.J.
Deposit date:2004-02-11
Release date:2004-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Structure of an aryl esterase from Pseudomonas fluorescens.
Acta Crystallogr.,Sect.D, 60, 2004
4YIT
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BU of 4yit by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-AabMI Bound to Uncleaved DNA
Descriptor: CALCIUM ION, DNA (25-MER), DNA (25MER), ...
Authors:Hallinan, J.P, Stoddard, B.L.
Deposit date:2015-03-02
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
1W8N
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BU of 1w8n by Molmil
Contribution of the Active Site Aspartic Acid to Catalysis in the Bacterial Neuraminidase from Micromonospora viridifaciens.
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, BACTERIAL SIALIDASE, SODIUM ION, ...
Authors:Newstead, S, Watson, J.N, Dookhun, V, Bennet, A.J, Taylor, G.
Deposit date:2004-09-24
Release date:2004-09-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Contribution of the Active Site Aspartic Acid to Catalysis in the Bacterial Neuraminidase from Micromonospora Viridifaciens
FEBS Lett., 577, 2004
4YRC
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BU of 4yrc by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 2-aminoquinolin-8-ol (Chem 89)
Descriptor: 1,2-ETHANEDIOL, 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRM
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BU of 4yrm by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 3-methoxypyridine (Chem 443)
Descriptor: 1,2-ETHANEDIOL, 3-methoxypyridine, GLYCEROL, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
1W1G
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BU of 1w1g by Molmil
Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain bound to DiC4-phosphatidylinositol (3,4,5)-trisphosphate
Descriptor: (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1
Authors:Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
Deposit date:2004-06-21
Release date:2004-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates
Embo J., 23, 2004
4YRK
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BU of 4yrk by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (4-chlorophenyl)methanol (Chem 260)
Descriptor: (4-chlorophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
1WAM
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BU of 1wam by Molmil
Structure of UDP-galactopyranose mutase from Klebsiella Pneumoniae with FADH-
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE
Authors:Beis, K, Srikannathasan, V, Naismith, J.H.
Deposit date:2004-10-27
Release date:2006-05-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structures of Mycobacteria Tuberculosis and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the Oxidised State and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the (Active) Reduced State.
J.Mol.Biol., 348, 2005
4YIS
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BU of 4yis by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-CpaMI Bound to Uncleaved DNA
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (28-MER), ...
Authors:Hallinan, J.P, Kaiser, B.K, Stoddard, B.L.
Deposit date:2015-03-02
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
4YRP
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BU of 4yrp by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(4-BROMOPHENYL)METHANAMINE (Chem 707)
Descriptor: 1,2-ETHANEDIOL, 1-(4-BROMOPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
1UY1
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BU of 1uy1 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
Authors:Van Bueren, A.L, Boraston, A.B.
Deposit date:2004-03-01
Release date:2004-06-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
2W3L
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BU of 2w3l by Molmil
Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex
Descriptor: 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide, APOPTOSIS REGULATOR BCL-2
Authors:Porter, J, Payne, A, de Candole, B, Ford, D, Hutchinson, B, Trevitt, G, Turner, J, Edwards, C, Watkins, C, Whitcombe, I, Davis, J, Stubberfield, C, Fisher, M, Lamers, M.
Deposit date:2008-11-13
Release date:2008-12-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tetrahydroisoquinoline Amide Substituted Phenyl Pyrazoles as Selective Bcl-2 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4YRL
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BU of 4yrl by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 4-(methylsulfanyl)aniline (Chem 262)
Descriptor: 1,2-ETHANEDIOL, 4-(methylsulfanyl)aniline, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
1WAU
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BU of 1wau by Molmil
Structure of KDPG Aldolase E45N mutant
Descriptor: KHG/KDPG ALDOLASE, SULFATE ION
Authors:Merkel, A.B, Naismith, J.H.
Deposit date:2004-10-28
Release date:2006-01-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
4YRJ
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BU of 4yrj by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 4-chlorobenzene-1,2-diamine (Chem 256)
Descriptor: 1,2-ETHANEDIOL, 4-chlorobenzene-1,2-diamine, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
1WA4
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BU of 1wa4 by Molmil
Crystal structure of the M131F L135A EvaD double mutant
Descriptor: GLYCEROL, PCZA361.16
Authors:Merkel, A.B, Naismith, J.H.
Deposit date:2004-10-22
Release date:2007-01-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the M131F L135A Evad Double Mutant
To be Published

239149

數據於2025-07-23公開中

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