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9FBY
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BU of 9fby by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with (5-(4-chloro-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 5-[4-chloranyl-1-(oxan-4-ylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2024-05-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
J.Med.Chem., 2024
1UNL
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BU of 1unl by Molmil
Structural mechanism for the inhibition of CD5-p25 from the roscovitine, aloisine and indirubin.
Descriptor: CYCLIN-DEPENDENT KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1, R-ROSCOVITINE
Authors:Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A.
Deposit date:2003-09-10
Release date:2004-11-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
9FBX
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BU of 9fbx by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ...
Authors:Chung, C.
Deposit date:2024-05-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
J.Med.Chem., 2024
1AGX
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BU of 1agx by Molmil
REFINED CRYSTAL STRUCTURE OF ACINETOBACTER GLUTAMINASIFICANS GLUTAMINASE-ASPARAGINASE
Descriptor: GLUTAMINASE-ASPARAGINASE
Authors:Lubkowski, J, Wlodawer, A, Housset, D, Weber, I.T, Ammon, H.L, Murphy, K.C, Swain, A.L.
Deposit date:1994-07-13
Release date:1994-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Refined crystal structure of Acinetobacter glutaminasificans glutaminase-asparaginase.
Acta Crystallogr.,Sect.D, 50, 1994
6USY
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BU of 6usy by Molmil
COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936
Descriptor: 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain
Authors:Weihofen, W.A, Clark, K, Nunes, S.
Deposit date:2019-10-28
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6RK3
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BU of 6rk3 by Molmil
Solution structure of the ribosome Elongation Factor P (EF-P) from Staphylococcus aureus
Descriptor: Elongation factor P
Authors:Usachev, K, Fatkhullin, B, Gabdulkhakov, A, Khusainov, I, Golubev, A, Validov, S, Yusupova, G, Yusupov, M.
Deposit date:2019-04-30
Release date:2020-03-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR and crystallographic structural studies of the Elongation factor P from Staphylococcus aureus.
Eur.Biophys.J., 49, 2020
6RJI
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BU of 6rji by Molmil
X-ray structure of the elongation factor P of S. aureus
Descriptor: Elongation factor P
Authors:Fatkhullin, B.F, Golubev, A.A, Gabdulkhakov, A.G, Khusainov, I.S, Validov, S.Z, Usachev, K.S, Yusupova, G, Yusupov, M.M.
Deposit date:2019-04-27
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:NMR and crystallographic structural studies of the Elongation factor P from Staphylococcus aureus.
Eur.Biophys.J., 49, 2020
1UNH
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BU of 1unh by Molmil
Structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin.
Descriptor: (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, CYCLIN-DEPENDENT KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1
Authors:Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A.
Deposit date:2003-09-10
Release date:2004-11-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
1UNG
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BU of 1ung by Molmil
Structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin.
Descriptor: 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE, CELL DIVISION PROTEIN KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1
Authors:Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A.
Deposit date:2003-09-10
Release date:2004-11-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
8BIG
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BU of 8big by Molmil
O-Methyltransferase Plu4895 in complex with SAH
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BGT
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BU of 8bgt by Molmil
O-Methyltransferase Plu4890 in complex with SAM
Descriptor: GLYCEROL, Methyltransferase Plu4890, S-ADENOSYLMETHIONINE, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BGY
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BU of 8bgy by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-284a
Descriptor: 1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione, CHLORIDE ION, Methyltransferase Plu4890, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BH0
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BU of 8bh0 by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-270b
Descriptor: 3-methoxy-1,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, Methyltransferase Plu4890, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIB
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BU of 8bib by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-256
Descriptor: 1,3,8-tris(oxidanyl)anthracene-9,10-dione, CARBONATE ION, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIE
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BU of 8bie by Molmil
O-Methyltransferase Plu4894 in complex with SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, methyltransferase Plu4894
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BII
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BU of 8bii by Molmil
O-Methyltransferase Plu4895 (mutant H229N) in complex with SAH
Descriptor: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, methyltransferase Plu4895 H229N mutant
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIJ
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BU of 8bij by Molmil
O-Methyltransferase Plu4894 (mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in complex with SAH
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Methyltransferase Plu4894 mutant I88M, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIC
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BU of 8bic by Molmil
O-Methyltransferase Plu4891 in complex with SAH
Descriptor: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIR
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BU of 8bir by Molmil
O-Methyltransferase Plu4895 in complex with SAH and AQ-256
Descriptor: 1,3,8-tris(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, IODIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BGZ
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BU of 8bgz by Molmil
O-Methyltransferase Plu4890 (mutant H229N) in complex with SAH and AQ-256
Descriptor: 1,3,8-tris(oxidanyl)anthracene-9,10-dione, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BGX
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BU of 8bgx by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-270a
Descriptor: 1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIH
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BU of 8bih by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-284b
Descriptor: 3,8-dimethoxy-1-oxidanyl-anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIF
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BU of 8bif by Molmil
O-Methyltransferase Plu4892 in complex with SAH
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BID
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BU of 8bid by Molmil
O-Methyltransferase Plu4890 (mutant H229N) in complex with SAH and AQ-270a
Descriptor: 1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
7RSA
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BU of 7rsa by Molmil
STRUCTURE OF PHOSPHATE-FREE RIBONUCLEASE A REFINED AT 1.26 ANGSTROMS
Descriptor: RIBONUCLEASE A, TERTIARY-BUTYL ALCOHOL
Authors:Wlodawer, A, Gilliland, G.L.
Deposit date:1988-06-10
Release date:1988-10-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure of phosphate-free ribonuclease A refined at 1.26 A.
Biochemistry, 27, 1988

221716

數據於2024-06-26公開中

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