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1ICS
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BU of 1ics by Molmil
CRYSTAL STRUCTURE OF 12-OXOPHYTODIENOATE REDUCTASE 1 FROM TOMATO
Descriptor: 12-OXOPHYTODIENOATE REDUCTASE 1, FLAVIN MONONUCLEOTIDE
Authors:Breithaupt, C, Strassner, J, Breitinger, U, Huber, R, Macheroux, P, Schaller, A, Clausen, T.
Deposit date:2001-04-02
Release date:2001-05-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray structure of 12-oxophytodienoate reductase 1 provides structural insight into substrate binding and specificity within the family of OYE.
Structure, 9, 2001
7R4P
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BU of 7r4p by Molmil
Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione
Descriptor: 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2022-02-09
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
6STU
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BU of 6stu by Molmil
Adenovirus 30 Fiber Knob protein
Descriptor: 1,2-ETHANEDIOL, Fiber, GLUTAMIC ACID
Authors:Baker, A.T, Mundy, R.M, Rizkallah, P.J, Parker, A.L.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Broad sialic acid usage amongst species D human adenovirus
npj Viruses, 1, 2023
1I1X
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BU of 1i1x by Molmil
1.11 A ATOMIC RESOLUTION STRUCTURE OF A THERMOSTABLE XYLANASE FROM THERMOASCUS AURANTIACUS
Descriptor: ENDO-1,4-BETA-XYLANASE
Authors:Natesh, R, Ramakumar, S, Viswamitra, M.A.
Deposit date:2001-02-04
Release date:2003-01-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Thermostable xylanase from Thermoascus aurantiacus at ultrahigh resolution (0.89 A) at 100 K and atomic resolution (1.11 A) at 293 K refined anisotropically to small-molecule accuracy.
Acta Crystallogr.,Sect.D, 59, 2003
5W6D
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BU of 5w6d by Molmil
Crystal structure of BG505-SOSIP.v4.1-GT1-N137A in complex with Fabs 35022 and 9H/109L
Descriptor: 109L FAB light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Garces, F, Stanfield, R.L, Wilson, I.A.
Deposit date:2017-06-16
Release date:2017-07-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Design and crystal structure of a native-like HIV-1 envelope trimer that engages multiple broadly neutralizing antibody precursors in vivo.
J. Exp. Med., 214, 2017
7R4O
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BU of 7r4o by Molmil
Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one
Descriptor: 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2022-02-08
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
8Q8I
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BU of 8q8i by Molmil
AO75L in complex with a synthetic trisaccharide acceptor.
Descriptor: (2~{R},3~{S},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-octoxy-3-oxidanyl-oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, BICINE, ...
Authors:Laugueri, M.E, Speciale, I, Gimeno, A, Sicheng, L, Poveda, A, Lowary, T, Van Etten J, L, Barbero, J, De Castro, C, Tonetti, M, Rojas A, L.
Deposit date:2023-08-18
Release date:2024-08-21
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Unveiling the GT114 family: Structural characterization of A075L, a glycosyltransferase from Paramecium bursaria chlorella virus-1 (PBCV-1).
Protein Sci., 33, 2024
3VQ6
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BU of 3vq6 by Molmil
HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
Descriptor: (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-20
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3W1P
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BU of 3w1p by Molmil
Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Descriptor: 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2012-11-19
Release date:2013-11-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
To be Published
3VAA
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BU of 3vaa by Molmil
1.7 Angstrom Resolution Crystal Structure of Shikimate Kinase from Bacteroides thetaiotaomicron
Descriptor: BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Minasov, G, Light, S.H, Halavaty, A, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-12-29
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1.7 Angstrom Resolution Crystal Structure of Shikimate Kinase from Bacteroides thetaiotaomicron.
TO BE PUBLISHED
5OBK
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BU of 5obk by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Pomplun, S, Sippel, C, Haehle, A, Bracher, A, Hausch, F.
Deposit date:2017-06-28
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:Chemogenomic Profiling of Human and Microbial FK506-Binding Proteins.
J. Med. Chem., 61, 2018
8PWE
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BU of 8pwe by Molmil
Crystal structure of VDR complex with Novel Des-C-Ring and Aromatic-D-Ring analog 3a
Descriptor: (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 2, ...
Authors:Rochel, N.
Deposit date:2023-07-20
Release date:2024-08-07
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Further Studies on the Highly Active Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3 (Calcitriol): Refinement of the Side Chain.
J.Med.Chem., 66, 2023
5O6Y
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BU of 5o6y by Molmil
Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, ...
Authors:Fadouloglou, V.E, Kotsifaki, D, Kokkinidis, M.
Deposit date:2017-06-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide
To Be Published
5O36
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BU of 5o36 by Molmil
Japanese encephalitis virus non-structural protein 1' C-terminal domain
Descriptor: Japanese encephalitis virus non-structural protein 1' (NS1'),Japanese encephalitis virus non-structural protein 1' (NS1'), N-PROPANOL, SULFATE ION
Authors:Thanalai, P, Wright, G.S.A, Antonyuk, S.V.
Deposit date:2017-05-23
Release date:2018-01-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Study of the C-Terminal Domain of Nonstructural Protein 1 from Japanese Encephalitis Virus.
J. Virol., 92, 2018
6XXG
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BU of 6xxg by Molmil
Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Deinococcus radiodurans
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase, CALCIUM ION, MAGNESIUM ION, ...
Authors:Gierse, R.M, Reddem, E, Grooves, M.R.
Deposit date:2020-01-27
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Identification of a 1-deoxy-D-xylulose-5-phosphate synthase (DXS) mutant with improved crystallographic properties.
Biochem.Biophys.Res.Commun., 539, 2021
3IHV
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BU of 3ihv by Molmil
Crystal structure of SusD homolog (NP_813570.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-07-30
Release date:2009-08-11
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of SusD homolog (NP_813570.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution
To be Published
7QSD
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BU of 7qsd by Molmil
Bovine complex I in the active state at 3.1 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-01-13
Release date:2022-03-02
Last modified:2023-03-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
8CT4
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BU of 8ct4 by Molmil
Cryo-EM structure of Mtb Lpd bound to inhibitor complex with 2-((2-cyano-N,5-dimethyl-1H-indole)-7-sulfonamido)-N-(4-(oxetan-3-yl)-3,4-dihydro-2H-benzo[b] [1,4]oxazin-7-yl)acetamide
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide
Authors:Kochanczyk, T, Arango, N, Lima, C.D.
Deposit date:2022-05-13
Release date:2022-05-25
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.17 Å)
Cite:Cryo-EM structure of Mtb Lpd bound to the inhibitor 2-((2-cyano-N,5-dimethyl-1H-indole)-7-sulfonamido)-N-(4-(oxetan-3-yl)-3,4-dihydro-2H-benzo[b] [1,4]oxazin-7-yl)acetamide at 2.17 Angstrom resolution
Not published
6XSN
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BU of 6xsn by Molmil
Crystal structure of NHP VD20.5A4 Fab in complex with 16055 V1V2 1FD6 scaffold
Descriptor: 1,2-ETHANEDIOL, 16055_V1V2-1FD6, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Aljedani, S, Pancera, M.
Deposit date:2020-07-15
Release date:2021-07-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
7X11
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BU of 7x11 by Molmil
Crystal structure of ME1 in complex with NADPH
Descriptor: 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole, MANGANESE (II) ION, NADP-dependent malic enzyme, ...
Authors:Amano, Y.
Deposit date:2022-02-22
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery and Characterization of a Novel Allosteric Small-Molecule Inhibitor of NADP + -Dependent Malic Enzyme 1.
Biochemistry, 61, 2022
6SCG
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BU of 6scg by Molmil
Structure of AdhE form 1
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aldehyde-alcohol dehydrogenase, ...
Authors:Lovering, A.L, Bragginton, E.
Deposit date:2019-07-24
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE.
Acta Crystallogr.,Sect.F, 76, 2020
7WET
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BU of 7wet by Molmil
Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela
Descriptor: (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, Peroxiredoxin-1
Authors:Zhang, H, Luo, C.
Deposit date:2021-12-24
Release date:2022-12-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
2F9K
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BU of 2f9k by Molmil
Crystal structure of human FPPS in complex with Zoledronate and Zn2+
Descriptor: Farnesyl Diphosphate Synthase, PHOSPHATE ION, ZINC ION, ...
Authors:Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W.
Deposit date:2005-12-06
Release date:2006-02-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
1RF9
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BU of 1rf9 by Molmil
Crystal structure of cytochrome P450-cam with a fluorescent probe D-4-AD (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-butyl-amide)
Descriptor: 1,2-ETHANEDIOL, ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-BUTYL-AMIDE, Cytochrome P450-cam, ...
Authors:Hays, A.-M.A, Dunn, A.R, Gray, H.B, Stout, C.D, Goodin, D.B.
Deposit date:2003-11-07
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational States of Cytochrome P450cam Revealed by Trapping of synthetic Molecular Wires
J.Mol.Biol., 344, 2004
1RE9
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BU of 1re9 by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME P450-CAM WITH A FLUORESCENT PROBE D-8-AD (ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE)
Descriptor: 1,2-ETHANEDIOL, ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, ...
Authors:Hays, A.-M.A, Dunn, A.R, Gray, H.B, Stout, C.D, Goodin, D.B.
Deposit date:2003-11-06
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Conformational states of cytochrome P450cam revealed by trapping of synthetic molecular wires.
J.Mol.Biol., 344, 2004

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数据于2025-10-01公开中

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