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3OJP
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BU of 3ojp by Molmil
D52N Mutant of Hen Egg White Lysozyme (HEWL)
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者O'Meara, F, Bradley, J, O'Rourke, P.E, Webb, H, Tynan-Connolly, B.M, Nielsen, J.E.
登録日2010-08-23
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献D52N Mutant of Hen Egg White Lysozyme (HEWL)
TO BE PUBLISHED
3B9X
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BU of 3b9x by Molmil
Crystal structure of the E. coli pyrimidine nucleoside hydrolase YeiK in complex with inosine
分子名称: CALCIUM ION, INOSINE, Pyrimidine-specific ribonucleoside hydrolase rihB, ...
著者Iovane, E, Degano, M.
登録日2007-11-07
公開日2008-04-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for substrate specificity in group I nucleoside hydrolases
Biochemistry, 47, 2008
7XAF
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BU of 7xaf by Molmil
The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide
分子名称: 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor
著者Zhang, Z.M, Wang, Y.J.
登録日2022-03-17
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.001182 Å)
主引用文献Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
3B2K
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BU of 3b2k by Molmil
Iodide derivative of human LFABP
分子名称: Fatty acid-binding protein, liver, IODIDE ION, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3B4Y
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BU of 3b4y by Molmil
FGD1 (Rv0407) from Mycobacterium tuberculosis
分子名称: CITRATE ANION, COENZYME F420, PROBABLE F420-DEPENDENT GLUCOSE-6-PHOSPHATE DEHYDROGENASE FGD1
著者Bashiri, G, Squire, C.J, Moreland, N.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
登録日2007-10-25
公開日2008-04-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding
J.Biol.Chem., 283, 2008
3B8I
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BU of 3b8i by Molmil
Crystal Structure of Oxaloacetate Decarboxylase from Pseudomonas Aeruginosa (PA4872) in complex with oxalate and Mg2+.
分子名称: GLYCEROL, MAGNESIUM ION, OXALATE ION, ...
著者Narayanan, B.C, Herzberg, O.
登録日2007-11-01
公開日2008-01-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of PA4872 from Pseudomonas aeruginosa, a novel class of oxaloacetate decarboxylase from the PEP mutase/isocitrate lyase superfamily.
Biochemistry, 47, 2008
3P0X
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BU of 3p0x by Molmil
Crystal structure of isocitrate lyase from Brucella melitensis, bound to magnesium isocitrate
分子名称: 1,2-ETHANEDIOL, ISOCITRIC ACID, Isocitrate lyase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-09-29
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of isocitrate lyase from Brucella melitensis, bound to magnesium isocitrate
To be Published
3B2H
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BU of 3b2h by Molmil
Iodide derivative of human LFABP at high resolution
分子名称: Fatty acid-binding protein, liver, IODIDE ION, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3P67
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BU of 3p67 by Molmil
T26S mutant of pentaerythritol tetranitrate reductase containing a bound acetate molecule
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
著者Toogood, H.S, Scrutton, N.S.
登録日2010-10-11
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Focused Directed Evolution of Pentaerythritol Tetranitrate Reductase by Using Automated Anaerobic Kinetic Screening of Site-Saturated Libraries
Chembiochem, 11, 2010
3P7X
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BU of 3p7x by Molmil
Crystal structure of an atypical two-cysteine peroxiredoxin (SAOUHSC_01822) from Staphylococcus aureus NCTC8325
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Probable thiol peroxidase, ...
著者Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
登録日2010-10-13
公開日2011-10-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of an atypical two-cysteine peroxiredoxin (SAOUHSC_01822) from Staphylococcus aureus NCTC8325
To be Published
4N1R
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BU of 4n1r by Molmil
Structure of Cyclophilin A in complex with benzenesulfonohydrazide.
分子名称: Peptidyl-prolyl cis-trans isomerase A, benzenesulfonohydrazide
著者Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
To be Published
3OYX
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BU of 3oyx by Molmil
Haloferax volcanii Malate Synthase Magnesium/Glyoxylate Complex
分子名称: CHLORIDE ION, GLYOXYLIC ACID, MAGNESIUM ION, ...
著者Howard, B.R, Bracken, C, Neighbor, A, Thomas, G, Lamlenn, K.K, Schubert, H.L, Whitby, F.G.
登録日2010-09-24
公開日2011-06-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal structures of a halophilic archaeal malate synthase from Haloferax volcanii and comparisons with isoforms A and G.
Bmc Struct.Biol., 11, 2011
4MSN
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BU of 4msn by Molmil
Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline)
分子名称: 8-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
3BQB
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BU of 3bqb by Molmil
Hexagonal kristal form of 2-keto-3-deoxyarabinonate dehydratase
分子名称: MAGNESIUM ION, Putative uncharacterized protein
著者Barends, T.M, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L.
登録日2007-12-20
公開日2008-04-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily
J.Mol.Biol., 379, 2008
4N9A
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BU of 4n9a by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
分子名称: (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-10-19
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
3P4U
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BU of 3p4u by Molmil
Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor
分子名称: Ac-VEID-CHO inhibitor, Caspase-6
著者Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A.
登録日2010-10-07
公開日2011-09-28
最終更新日2015-12-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of active and inhibitor-bound human Casp6
To be Published
4N1E
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BU of 4n1e by Molmil
Structural evidence for antigen receptor evolution
分子名称: Lysozyme C, immunoglobulin variable light chain domain
著者Langley, D.B, Rouet, R, Stock, D, Christ, D.
登録日2013-10-04
公開日2014-10-29
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3ONK
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BU of 3onk by Molmil
yeast Ent3_ENTH domain
分子名称: Epsin-3
著者Wang, J, Fang, P, Niu, L, Teng, M.
登録日2010-08-29
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Epsin N-terminal homology domains bind on opposite sides of two SNAREs
Proc.Natl.Acad.Sci.USA, 108, 2011
4N30
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BU of 4n30 by Molmil
Crystal structure of Pseudomonas aeruginosa DsbA2
分子名称: Protein disulfide isomerase
著者Tamu, V.D, Wahni, K, Messens, J.
登録日2013-10-06
公開日2013-12-04
最終更新日2014-01-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Dissecting the machinery that introduces disulfide bonds in Pseudomonas aeruginosa.
MBio, 4, 2013
6T38
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BU of 6t38 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ...
著者Alphey, M.S, Xiao, G, Westwood, J.N.
登録日2019-10-10
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
3ATI
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BU of 3ati by Molmil
Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine
分子名称: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2011-01-05
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3ATM
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BU of 3atm by Molmil
Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine
分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2011-01-05
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3OYZ
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BU of 3oyz by Molmil
Haloferax volcanii Malate Synthase Pyruvate/Acetyl-CoA Ternary Complex
分子名称: ACETYL COENZYME *A, CHLORIDE ION, MAGNESIUM ION, ...
著者Howard, B.R, Bracken, C, Neighbor, A, Thomas, G, Lamlenn, K.K, Schubert, H.L, Whitby, F.G.
登録日2010-09-24
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of a halophilic archaeal malate synthase from Haloferax volcanii and comparisons with isoforms A and G.
Bmc Struct.Biol., 11, 2011
3P45
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BU of 3p45 by Molmil
Crystal structure of apo-caspase-6 at physiological pH
分子名称: caspase-6
著者Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A.
登録日2010-10-06
公開日2011-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Crystal structures of active and inhibitor-bound human Casp6
To be Published
4M4N
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BU of 4m4n by Molmil
Structural evaluation the Y358H mutant of the aspergillus fumigatus kdnase (sialidase)
分子名称: Extracellular sialidase/neuraminidase, putative, GLYCEROL, ...
著者Telford, J.C, Taylor, G.L.
登録日2013-08-07
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Active site mutants of a fungal KDNase
To be Published

223790

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