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8GOG
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BU of 8gog by Molmil
Structure of streptavidin mutant (S112Y-K121E) complexed with biotin-cyclopentadienyl-rhodium (III)(Cp*-Rh(III))
Descriptor: CHLORIDE ION, GLYCEROL, RHODIUM(III) ION, ...
Authors:Sairaman, A, Mukherjee, P, Maiti, D, Bhaumik, P.
Deposit date:2022-08-24
Release date:2024-02-28
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enantiodivergent synthesis of isoindolones catalysed by a Rh(III)-based artificial metalloenzyme
Nat Synth, 3, 2024
4XX4
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BU of 4xx4 by Molmil
Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium
Descriptor: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
4XX3
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BU of 4xx3 by Molmil
Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide, Renin
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
5KH0
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BU of 5kh0 by Molmil
Crystal Structure of HydF from thermosipho melanesiensis in complex with a [4Fe-4S] cluster
Descriptor: IRON/SULFUR CLUSTER, Small GTP-binding protein
Authors:Caserta, G, Pecqueur, L, Fontecave, M.
Deposit date:2016-06-14
Release date:2017-05-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional characterization of the hydrogenase-maturation HydF protein.
Nat. Chem. Biol., 13, 2017
5JHQ
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BU of 5jhq by Molmil
ARCs 1-3 of human Tankyrase-1 bound to a peptide derived from IRAP
Descriptor: Peptide derived from insulin-responsive aminopeptidase (IRAP), Tankyrase-1
Authors:Eisemann, T, Pascal, J.M.
Deposit date:2016-04-21
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tankyrase-1 Ankyrin Repeats Form an Adaptable Binding Platform for Targets of ADP-Ribose Modification.
Structure, 24, 2016
7E4W
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BU of 7e4w by Molmil
Human Transcriptional Co-activator PC4 (C-terminal Domain) in space group P1211
Descriptor: Activated RNA polymerase II transcriptional coactivator p15
Authors:Dev, A, Pandey, B, Basu, G.
Deposit date:2021-02-15
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights on the disruption of the complex between human positive coactivator 4 and p53 by small molecules.
Biochem.Biophys.Res.Commun., 578, 2021
7PVI
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BU of 7pvi by Molmil
dTDP-sugar epimerase
Descriptor: CITRATE ANION, SODIUM ION, alpha-D-xylopyranose, ...
Authors:Cross, A.R, Harmer, N.J, Isupov, M.N.
Deposit date:2021-10-04
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.434 Å)
Cite:Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases.
J.Biol.Chem., 298, 2022
7PWB
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BU of 7pwb by Molmil
dTDP-sugar epimerase from Coxiella burnetii in complex with dTDP
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, THYMIDINE-5'-DIPHOSPHATE, ...
Authors:Cross, A.R, Harmer, N.J, Isupov, M.N.
Deposit date:2021-10-06
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases.
J.Biol.Chem., 298, 2022
7PWH
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BU of 7pwh by Molmil
Structure of the dTDP-sugar epimerase StrM
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDINE-5'-DIPHOSPHATE, ...
Authors:Cross, A.R, Harmer, N.J, Isupov, M.N.
Deposit date:2021-10-06
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases.
J.Biol.Chem., 298, 2022
7PWI
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BU of 7pwi by Molmil
Structure of the dTDP-sugar epimerase StrM
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, dTDP-4-keto-rhamnose 3,5-epimerase,dTDP-4-dehydrorhamnose 3,5-epimerase
Authors:Cross, A.R, Harmer, N.J, Isupov, M.N.
Deposit date:2021-10-06
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.326 Å)
Cite:Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases.
J.Biol.Chem., 298, 2022
4WPL
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BU of 4wpl by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form I
Descriptor: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-20
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WRV
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BU of 4wrv by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form III
Descriptor: CHLORIDE ION, URACIL, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WRZ
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BU of 4wrz by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form I
Descriptor: 5-FLUOROURACIL, CHLORIDE ION, CITRIC ACID, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.193 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS2
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BU of 4ws2 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, Form I
Descriptor: 6-aminopyrimidine-2,4(3H,5H)-dione, CHLORIDE ION, CITRIC ACID, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS7
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BU of 4ws7 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-chlorouracil, Form II
Descriptor: 1,2-ETHANEDIOL, 5-chloropyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4L7T
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BU of 4l7t by Molmil
B. fragilis NanU
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, NanU sialic acid binding protein, ...
Authors:Rafferty, J.B, Phansopa, C, Stafford, G.P.
Deposit date:2013-06-14
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural and functional characterization of NanU, a novel high-affinity sialic acid-inducible binding protein of oral and gut-dwelling Bacteroidetes species.
Biochem.J., 458, 2014
4WRU
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BU of 4wru by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form II
Descriptor: CHLORIDE ION, GLYCEROL, URACIL, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WRW
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BU of 4wrw by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form IV
Descriptor: CHLORIDE ION, GLYCEROL, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WRY
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BU of 4wry by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil(B), Form I
Descriptor: 5-FLUOROURACIL, CHLORIDE ION, CITRIC ACID, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS1
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BU of 4ws1 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form II
Descriptor: 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS5
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BU of 4ws5 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form III
Descriptor: 5-nitrouracil, CHLORIDE ION, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WRX
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BU of 4wrx by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form V
Descriptor: CHLORIDE ION, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS0
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BU of 4ws0 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (A), Form II
Descriptor: 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.974 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS3
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BU of 4ws3 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, Form IV
Descriptor: 6-aminopyrimidine-2,4(3H,5H)-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS8
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BU of 4ws8 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 2-thiouracil, Form V
Descriptor: 2-thioxo-2,3-dihydropyrimidin-4(1H)-one, CHLORIDE ION, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015

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数据于2024-07-31公开中

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