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7WMK
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BU of 7wmk by Molmil
PQQ-dependent alcohol dehydrogenase complexed with PQQ
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Chen, M, Yang, H, Lv, F.
Deposit date:2022-01-15
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-Function Analysis of a Quinone-Dependent Dehydrogenase Capable of Deoxynivalenol Detoxification.
J.Agric.Food Chem., 70, 2022
7WMD
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BU of 7wmd by Molmil
PQQ-dependent alcohol dehydrogenase detoxifying DON
Descriptor: CALCIUM ION, PQQ-dependent alcohol dehydrogenase
Authors:Chen, M, Yang, H, Lv, F.
Deposit date:2022-01-14
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Function Analysis of a Quinone-Dependent Dehydrogenase Capable of Deoxynivalenol Detoxification.
J.Agric.Food Chem., 70, 2022
7X6T
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BU of 7x6t by Molmil
Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold
Descriptor: (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide, Isoform C of Bromodomain-containing protein 4
Authors:Cao, D, Xiong, B.
Deposit date:2022-03-08
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold
To Be Published
6AOG
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BU of 6aog by Molmil
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine (pyrimethamine)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, ...
Authors:Thomas, S.B, Li, Y, Chen, Z, Lu, H.
Deposit date:2017-08-16
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis
To Be Published
6AOH
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BU of 6aoh by Molmil
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-(3-(2-methoxypyrimidin-5-yl)phenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-2533)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine, ...
Authors:Thomas, S.B, Li, Y, Chen, Z, Lu, H.
Deposit date:2017-08-16
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis
To Be Published
6AOI
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BU of 6aoi by Molmil
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine (TRC-2528)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine, ...
Authors:Thomas, S.B, Li, Y, Chen, Z, Lu, H.
Deposit date:2017-08-16
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis
To Be Published
6LIM
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BU of 6lim by Molmil
BRD4-BD1 bound with compound 40
Descriptor: (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
Authors:Xiong, B, Cao, D, Li, Y.
Deposit date:2019-12-12
Release date:2020-12-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75909507 Å)
Cite:BRD4-BD1 bound with compound 40
To Be Published
7DDE
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BU of 7dde by Molmil
Cryo-EM structure of the Ape4 and Nbr1 complex
Descriptor: Aspartyl aminopeptidase 1,ZZ-type zinc finger-containing protein P35G2.11c,Maltose/maltodextrin-binding periplasmic protein, ZINC ION
Authors:Zhang, J, Ye, K.
Deposit date:2020-10-28
Release date:2021-07-14
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.26 Å)
Cite:Molecular and structural mechanisms of ZZ domain-mediated cargo selection by Nbr1.
Embo J., 40, 2021
7DD9
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BU of 7dd9 by Molmil
Cryo-EM structure of the Ams1 and Nbr1 complex
Descriptor: Alpha-mannosidase,ZZ-type zinc finger-containing protein P35G2.11c,Maltose/maltodextrin-binding periplasmic protein, ZINC ION
Authors:Zhang, J, Ye, K.
Deposit date:2020-10-28
Release date:2021-07-14
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Molecular and structural mechanisms of ZZ domain-mediated cargo selection by Nbr1.
Embo J., 40, 2021
7E2Q
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BU of 7e2q by Molmil
Crystal structure of Mycoplasma pneumoniae Enolase
Descriptor: Enolase, SULFATE ION
Authors:Chen, R, Zhang, S, Gan, R, Wang, W, Ran, T, Xiong, Q, Shao, G, Feng, Z.
Deposit date:2021-02-07
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evidence for the Rapid and Divergent Evolution of Mycoplasmas: Structural and Phylogenetic Analysis of Enolases.
Front Mol Biosci, 8, 2022
7EEJ
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BU of 7eej by Molmil
Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with cellobiose
Descriptor: GLYCEROL, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase
Authors:Jiang, Z.Q, Ma, J.W.
Deposit date:2021-03-18
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.47798049 Å)
Cite:Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.
J.Struct.Biol., 213, 2021
7EE2
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BU of 7ee2 by Molmil
Structural insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.CQ31
Descriptor: GLYCEROL, glycoside hydrolase family 12 beta-1,3-1,4-glucanase
Authors:Jiang, Z.Q, Ma, J.
Deposit date:2021-03-17
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.37011635 Å)
Cite:Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.
J.Struct.Biol., 213, 2021
7EEE
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BU of 7eee by Molmil
Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with gentiobiose
Descriptor: GLYCEROL, beta-D-mannopyranose-(1-6)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase
Authors:Jiang, Z.Q, Ma, J.W.
Deposit date:2021-03-18
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.660792 Å)
Cite:Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.
J.Struct.Biol., 213, 2021
7E2P
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BU of 7e2p by Molmil
The Crystal Structure of Mycoplasma bovis enolase
Descriptor: Enolase
Authors:Chen, R, Zhang, S, Gan, R, Wang, W, Ran, T, Shao, G, Xiong, Q, Feng, Z.
Deposit date:2021-02-07
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evidence for the Rapid and Divergent Evolution of Mycoplasmas: Structural and Phylogenetic Analysis of Enolases.
Front Mol Biosci, 8, 2022
7DH6
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BU of 7dh6 by Molmil
Crystal structure of PLRG1
Descriptor: CALCIUM ION, NICKEL (II) ION, Pleiotropic regulator 1, ...
Authors:Wang, X, Xu, C.
Deposit date:2020-11-13
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.584 Å)
Cite:Crystal structure of the WD40 domain of human PLRG1.
Biochem.Biophys.Res.Commun., 534, 2021
7ESV
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BU of 7esv by Molmil
Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY
Descriptor: D(-)-TARTARIC ACID, Packaging NTPase
Authors:Zhang, C.Y, Jin, T.C.
Deposit date:2021-05-11
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY.
Int.J.Biol.Macromol., 194, 2022
7ESQ
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BU of 7esq by Molmil
Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PYROPHOSPHATE, ...
Authors:Zhang, C.Y, Jin, T.C.
Deposit date:2021-05-11
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY.
Int.J.Biol.Macromol., 194, 2022
7ESP
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BU of 7esp by Molmil
Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY
Descriptor: D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER, Packaging NTPase
Authors:Zhang, C.Y, Jin, T.C.
Deposit date:2021-05-11
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY.
Int.J.Biol.Macromol., 194, 2022
7ESO
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BU of 7eso by Molmil
Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY
Descriptor: Packaging NTPase
Authors:Zhang, C.Y, Jin, T.C.
Deposit date:2021-05-11
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY.
Int.J.Biol.Macromol., 194, 2022
7DF1
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BU of 7df1 by Molmil
Crystal structure of human CD98 heavy chain extracellular domain in complex with S1-F4 scFv
Descriptor: 4F2 cell-surface antigen heavy chain, IGL c2062_light_IGKV4-1_IGKJ5, S1-F4 VH
Authors:Liu, X, Ding, J, Sui, J, Tian, X.
Deposit date:2020-11-06
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.806 Å)
Cite:An anti-CD98 antibody displaying pH-dependent Fc-mediated tumour-specific activity against multiple cancers in CD98-humanized mice.
Nat Biomed Eng, 2022
5XHY
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BU of 5xhy by Molmil
BRD4 bound with compound Bdi1
Descriptor: Bromodomain-containing protein 4, ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide
Authors:Xiong, B, Cao, D, Li, Y.
Deposit date:2017-04-25
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.976 Å)
Cite:BRD4 bound with compound Bdi1
To Be Published
5ZKA
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BU of 5zka by Molmil
Crystal structure of N-acetylneuraminate lyase from Fusobacterium nucleatum complexed with Pyruvate
Descriptor: 1,2-ETHANEDIOL, N-acetylneuraminate lyase, TRIETHYLENE GLYCOL
Authors:Kumar, J.P, Rao, H, Nayak, V, Ramaswamy, S.
Deposit date:2018-03-23
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structures and kinetics of N-acetylneuraminate lyase from Fusobacterium nucleatum
Acta Crystallogr F Struct Biol Commun, 74, 2018
7FHJ
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BU of 7fhj by Molmil
Crystal structure of BAZ2A with DNA
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ...
Authors:Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2021-07-29
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.
J.Biol.Chem., 297, 2021

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數據於2024-07-10公開中

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