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2V4A
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BU of 2v4a by Molmil
Crystal structure of the SeMet-labeled prolyl-4 hydroxylase (P4H) type I from green algae Chlamydomonas reinhardtii.
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koski, M.K, Hieta, R, Bollner, C, Kivirikko, K.I, Myllyharju, J, Wierenga, R.K.
Deposit date:2007-06-28
Release date:2007-10-30
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Active Site of an Algal Prolyl 4-Hydroxylase Has a Large Structural Plasticity.
J.Biol.Chem., 282, 2007
6J63
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BU of 6j63 by Molmil
Crystal structure of Arabidopsis thaliana HPPD complexed with NTBC
Descriptor: 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, FE (III) ION
Authors:Yang, W.C, Yang, G.F.
Deposit date:2019-01-13
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.624 Å)
Cite:Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
6JB5
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BU of 6jb5 by Molmil
Crystal structure of nanobody D3-L11 mutant Y102A in complex with hen egg-white lysozyme (form II)
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K.
Deposit date:2019-01-25
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody.
Sci Rep, 9, 2019
7WUC
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BU of 7wuc by Molmil
Room-temperature structure of lysozyme by serial femtosecond crystallography (BITS)
Descriptor: Lysozyme C
Authors:Nam, K.H.
Deposit date:2022-02-08
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combination of an inject-and-transfer system for serial femtosecond crystallography.
J.Appl.Crystallogr., 55, 2022
6B4O
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BU of 6b4o by Molmil
1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase from Enterococcus faecalis in Complex with FAD
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, ...
Authors:Minasov, G, Warwzak, Z, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-09-27
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase from Enterococcus faecalis in Complex with FAD.
To Be Published
6B5I
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BU of 6b5i by Molmil
ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
5X1Y
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BU of 5x1y by Molmil
Structure of mercuric reductase from Lysinibacillus sphaericus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Mercuric reductase
Authors:Khan, F, Suguna, K.
Deposit date:2017-01-28
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Structural and functional characterization of mercuric reductase from Lysinibacillus sphaericus strain G1.
Biometals, 30, 2017
2V0V
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BU of 2v0v by Molmil
Crystal Structure of Rev-Erb beta
Descriptor: ORPHAN NUCLEAR RECEPTOR NR1D2
Authors:Woo, E.-J, Jeong, D.G, Lim, M.-Y, Jun Kim, S, Eon Ryu, S.
Deposit date:2007-05-19
Release date:2007-10-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insight Into the Constitutive Repression Function of the Nuclear Receptor Rev-Erbbeta
J.Mol.Biol., 373, 2007
7WXI
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BU of 7wxi by Molmil
GPR domain of Drosophila P5CS filament with glutamate and ATPgammaS
Descriptor: Delta-1-pyrroline-5-carboxylate synthase, GAMMA-GLUTAMYL PHOSPHATE
Authors:Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
Deposit date:2022-02-14
Release date:2022-03-30
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
5X1C
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BU of 5x1c by Molmil
Crystal Structure of Human CRMP-2 without C-terminal Tail
Descriptor: Dihydropyrimidinase-related protein 2
Authors:Nitta, R, Tomabechi, Y, Aoki, M, Shirouzu, M.
Deposit date:2017-01-25
Release date:2017-09-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural basis for CRMP2-induced axonal microtubule formation
Sci Rep, 7, 2017
7WXH
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BU of 7wxh by Molmil
GPR domain open form of Drosophila P5CS filament with glutamate, ATP, and NADPH
Descriptor: Delta-1-pyrroline-5-carboxylate synthase
Authors:Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
Deposit date:2022-02-14
Release date:2022-03-30
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
7WXG
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BU of 7wxg by Molmil
GPR domain closed form of Drosophila P5CS filament with glutamate, ATP, and NADPH
Descriptor: Delta-1-pyrroline-5-carboxylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
Deposit date:2022-02-14
Release date:2022-03-30
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
6B82
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BU of 6b82 by Molmil
Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex
Descriptor: ACETATE ION, Abiraterone, CHLORIDE ION, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2017-10-05
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Inherent steroid 17 alpha ,20-lyase activity in defunct cytochrome P450 17A enzymes.
J. Biol. Chem., 293, 2018
7WX4
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BU of 7wx4 by Molmil
GK domain of Drosophila P5CS filament with glutamate and ATPgammaS
Descriptor: Delta-1-pyrroline-5-carboxylate synthase
Authors:Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
Deposit date:2022-02-14
Release date:2022-04-06
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
4LRS
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BU of 4lrs by Molmil
Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site
Descriptor: 4-hydroxy-2-oxovalerate aldolase, Acetaldehyde dehydrogenase, CHLORIDE ION, ...
Authors:Fischer, B, Branlant, G, Talfournier, F, Gruez, A.
Deposit date:2013-07-20
Release date:2013-09-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site
To be Published
3K1O
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BU of 3k1o by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole
Descriptor: 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase
Authors:Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
Deposit date:2009-09-28
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
7QHE
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BU of 7qhe by Molmil
Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide
Descriptor: (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F.
Deposit date:2021-12-12
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023
2VDC
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BU of 2vdc by Molmil
THE 9.5 A RESOLUTION STRUCTURE OF GLUTAMATE SYNTHASE FROM CRYO-ELECTRON MICROSCOPY AND ITS OLIGOMERIZATION BEHAVIOR IN SOLUTION: FUNCTIONAL IMPLICATIONS.
Descriptor: 2-OXOGLUTARIC ACID, FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Cottevieille, M, Larquet, E, Jonic, S, Petoukhov, M.V, Caprini, G, Paravisi, S, Svergun, D.I, Vanoni, M.A, Boisset, N.
Deposit date:2007-10-04
Release date:2008-01-15
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9.5 Å)
Cite:The Subnanometer Resolution Structure of the Glutamate Synthase 1.2-Mda Hexamer by Cryoelectron Microscopy and its Oligomerization Behavior in Solution: Functional Implications.
J.Biol.Chem., 283, 2008
6FKX
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BU of 6fkx by Molmil
Crystal structure of an acetyl xylan esterase from a desert metagenome
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl xylan esterase, FORMIC ACID, ...
Authors:Adesioye, F.A, Makhalanyane, T.P, Vikram, S, Sewell, B.T, Schubert, W, Cowan, D.A.
Deposit date:2018-01-24
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Characterization and Directed Evolution of a Novel Acetyl Xylan Esterase Reveals Thermostability Determinants of the Carbohydrate Esterase 7 Family.
Appl. Environ. Microbiol., 84, 2018
7WXF
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BU of 7wxf by Molmil
GPR domain of Drosophila P5CS filament with glutamate
Descriptor: Delta-1-pyrroline-5-carboxylate synthase
Authors:Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
Deposit date:2022-02-14
Release date:2022-03-30
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
6JG0
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BU of 6jg0 by Molmil
Crystal structure of the N-terminal domain single mutant (S92E) of the human mitochondrial calcium uniporter fused with T4 lysozyme
Descriptor: Endolysin,Calcium uniporter protein, SULFATE ION
Authors:Lee, Y, Park, J, Min, C.K, Kang, J.Y, Kim, T.G, Yamamoto, T, Kim, D.H, Eom, S.H.
Deposit date:2019-02-13
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of calcium channel domain
To Be Published
3CL8
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BU of 3cl8 by Molmil
Crystal structure of Puue Allantoinase complexed with ACA
Descriptor: 5-amino-1H-imidazole-4-carboxamide, Puue Allantoinase
Authors:Ramazzina, I, Cendron, L, Folli, C, Berni, R, Monteverdi, D, Zanotti, G, Percudani, R.
Deposit date:2008-03-18
Release date:2008-06-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Logical identification of an allantoinase analog (puuE) recruited from polysaccharide deacetylases
J.Biol.Chem., 283, 2008
2VFR
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BU of 2vfr by Molmil
Alditol Oxidase from Streptomyces coelicolor A3(2): Native Enzyme
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, XYLITOL OXIDASE
Authors:Forneris, F, Mattevi, A.
Deposit date:2007-11-05
Release date:2008-01-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Analysis of the Catalytic Mechanism and Stereoselectivity in Streptomyces Coelicolor Alditol Oxidase.
Biochemistry, 47, 2008
7QHD
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BU of 7qhd by Molmil
Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide
Descriptor: (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F.
Deposit date:2021-12-12
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023
6JGN
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BU of 6jgn by Molmil
Crystal structure of barley exohydrolaseI W434H in complex with 4'-nitrophenyl thiolaminaribioside
Descriptor: 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-14
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022

224004

数据于2024-08-21公开中

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