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6GXK
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BU of 6gxk by Molmil
Crystal structure of Aldo-Keto Reductase 1C3 (AKR1C3) complexed with inhibitor.
分子名称: 1,2-ETHANEDIOL, 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one, Aldo-keto reductase family 1 member C3, ...
著者Goyal, P, Wahlgren, W.Y, Friemann, R.
登録日2018-06-27
公開日2019-05-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Bioisosteres of Indomethacin as Inhibitors of Aldo-Keto Reductase 1C3.
Acs Med.Chem.Lett., 10, 2019
7VXP
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BU of 7vxp by Molmil
Matrix arm of active state CI from Q10 dataset
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-13
公開日2022-11-23
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
5YI6
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BU of 5yi6 by Molmil
CRISPR associated protein Cas6
分子名称: CRISPR-associated endoribonuclease Cas6 1, GLYCEROL, PHOSPHATE ION
著者Ko, T.P, Hsieh, T.J, Chen, Y.
登録日2017-10-03
公開日2018-09-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Expression, Purification, Crystallization, and X-ray Structural Analysis of CRISPR-Associated Protein Cas6 from Methanocaldococcus jannaschii
Crystals, 7, 2018
7VXU
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BU of 7vxu by Molmil
Matrix arm of deactive state CI from Q10 dataset
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-13
公開日2022-11-23
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
3IGS
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BU of 3igs by Molmil
Structure of the Salmonella enterica N-acetylmannosamine-6-phosphate 2-epimerase
分子名称: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, N-acetylmannosamine-6-phosphate 2-epimerase 2, ...
著者Anderson, S.M, Wawrzak, Z, Gordon, E, Skarina, T, Papazisi, L, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-07-28
公開日2009-08-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献

7VY1
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BU of 7vy1 by Molmil
Membrane arm of deactive state CI from Q10 dataset
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-13
公開日2022-11-23
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7Q54
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BU of 7q54 by Molmil
Single Particle Cryo-EM structure of photosynthetic A4B4-glyceraldehyde 3-phosphate dehydrogenase from Spinacia oleracia.
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, Glyceraldehyde-3-phosphate dehydrogenase B, ...
著者Marotta, R, Fermani, S, Sparla, F, Trost, P, Del Giudice, A.
登録日2021-11-02
公開日2022-11-16
実験手法ELECTRON MICROSCOPY (8.9 Å)
主引用文献Unravelling the regulation pathway of photosynthetic AB-GAPDH.
Acta Crystallogr D Struct Biol, 78, 2022
5YFM
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BU of 5yfm by Molmil
Human isocitrate dehydrogenase 1 bound with NADP
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Nordlund, P, Chen, D, Jansson, A, Larsson, A.
登録日2017-09-21
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human isocitrate dehydrogenase 1 bound with NADP
To Be Published
3F0Z
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BU of 3f0z by Molmil
Crystal structure of Clostridium acetobutylicum 8-oxoguanine glycosylase/lyase in its apo-form
分子名称: 8-oxoguanine-DNA-glycosylase, GLYCEROL
著者Faucher, F, Doublie, S.
登録日2008-10-27
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterization of Clostridium acetobutylicum 8-oxoguanine DNA glycosylase in its apo form and in complex with 8-oxodeoxyguanosine.
J.Mol.Biol., 387, 2009
4LSW
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BU of 4lsw by Molmil
Crystallization and Structural Analysis of 2-Hydroxyacid Dehydrogenase from Ketogulonicigenium vulgare Y25
分子名称: D-2-hydroxyacid dehydrogensase protein
著者Han, X, Liu, X.
登録日2013-07-23
公開日2013-09-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystallization and structural analysis of 2-hydroxyacid dehydrogenase from Ketogulonicigenium vulgare.
Biotechnol.Lett., 36, 2014
4Q72
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BU of 4q72 by Molmil
Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D779Y
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ...
著者Tanner, J.J, Pemberton, T.A, Luo, M.
登録日2014-04-23
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A.
Biochemistry, 53, 2014
7VYH
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BU of 7vyh by Molmil
Matrix arm of deactive state CI from Rotenone dataset
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-14
公開日2022-11-23
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
4LT0
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BU of 4lt0 by Molmil
HEWL co-crystallized with Carboplatin in non-NaCl conditions: crystal 1 processed using the EVAL software package
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Schreurs, A.M.M, Helliwell, J.R.
登録日2013-07-23
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Carboplatin binding to histidine.
Acta Crystallogr.,Sect.F, 70, 2014
6ADI
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BU of 6adi by Molmil
Crystal Structures of IDH2 R140Q in complex with AG-881
分子名称: 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, Isocitrate dehydrogenase [NADP], mitochondrial, ...
著者Ma, R, Yun, C.H.
登録日2018-08-01
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献Crystal structures of pan-IDH inhibitor AG-881 in complex with mutant human IDH1 and IDH2
Biochem. Biophys. Res. Commun., 503, 2018
3FK9
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BU of 3fk9 by Molmil
Crystal structure of mMutator MutT protein from Bacillus halodurans
分子名称: Mutator MutT protein
著者Bonanno, J.B, Freeman, J, Bain, K.T, Hu, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-16
公開日2009-01-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of mMutator MutT protein from Bacillus halodurans
To be Published
6AEA
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BU of 6aea by Molmil
Crystal Structure of HEWL in complex with TEMED (in the aroma form) after 5 hours under fibrillation conditions
分子名称: CHLORIDE ION, Lysozyme C, N,N,N',N'-tetramethylethane-1,2-diamine, ...
著者Seraj, Z, Seyedarabi, A.
登録日2018-08-04
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL.
Plos One, 15, 2020
7VYG
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BU of 7vyg by Molmil
Membrane arm of active state CI from rotenone dataset
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-14
公開日2022-11-23
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
6AFA
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BU of 6afa by Molmil
DJ-1 with isatin (low concentration)
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
7Q55
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BU of 7q55 by Molmil
Single Particle Cryo-EM structure of photosynthetic A8B8 glyceraldehyde-3-phosphate dehydrogenase hexadecamer (major conformer) from Spinacia oleracia.
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, Glyceraldehyde-3-phosphate dehydrogenase B, ...
著者Marotta, R, Fermani, S, Sparla, F, Trost, P, Del Giudice, A.
登録日2021-11-02
公開日2022-11-16
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Unravelling the regulation pathway of photosynthetic AB-GAPDH.
Acta Crystallogr D Struct Biol, 78, 2022
5YIN
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BU of 5yin by Molmil
Hen egg-white lysozyme precipitant-free orthorhombic form
分子名称: Lysozyme C
著者Suzuki, Y, Tsuge, H, Uehara, Y.
登録日2017-10-06
公開日2018-07-25
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Precipitant-free lysozyme crystals grown by centrifugal concentration reveal structural changes
CRYST.GROWTH DES., 2018
7VYE
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BU of 7vye by Molmil
Membrane arm of deactive state CI from Q10-NADH dataset
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-14
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
7Q56
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BU of 7q56 by Molmil
Single Particle Cryo-EM structure of photosynthetic A8B8 glyceraldehyde-3-phosphate dehydrogenase (minor conformer) from Spinacia oleracea.
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, Glyceraldehyde-3-phosphate dehydrogenase B, ...
著者Marotta, R, Fermani, S, Sparla, F, Trost, P, Del Giudice, A.
登録日2021-11-02
公開日2022-11-16
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Unravelling the regulation pathway of photosynthetic AB-GAPDH.
Acta Crystallogr D Struct Biol, 78, 2022
7VYA
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BU of 7vya by Molmil
Matrix arm of deactive state CI from Q10-NADH dataset
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-13
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
3IJ9
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BU of 3ij9 by Molmil
Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase
分子名称: (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, CALCIUM ION, CHLORIDE ION, ...
著者Li, C, Zhang, R, Withers, S.G, Brayer, G.D.
登録日2009-08-04
公開日2009-10-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase
Biochemistry, 48, 2009
3IJQ
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BU of 3ijq by Molmil
Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Ala-D-Glu; productive substrate binding.
分子名称: ALANINE, D-GLUTAMIC ACID, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C.
登録日2009-08-04
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012

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