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7ERB
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BU of 7erb by Molmil
Crystal structure of human Biliverdin IX-beta reductase B with Ataluren (PTC)
分子名称: 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H.
登録日2021-05-06
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
6H1T
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BU of 6h1t by Molmil
Structure of the BM3 heme domain in complex with clotrimazole
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, ...
著者Jeffreys, L.N, Munro, A.W.M, Leys, D.
登録日2018-07-12
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
6H50
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BU of 6h50 by Molmil
Crystal structure of human KDM5B in complex with compound 34a
分子名称: 1,2-ETHANEDIOL, 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6H4Z
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BU of 6h4z by Molmil
Crystal structure of human KDM5B in complex with compound 16a
分子名称: 1,2-ETHANEDIOL, 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
3ZTL
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BU of 3ztl by Molmil
Crystal structure of decameric form of Peroxiredoxin I from Schistosoma mansoni
分子名称: THIOREDOXIN PEROXIDASE
著者Saccoccia, F, Angelucci, F, Bellelli, A, Boumis, G, Brunori, M, Miele, A.E.
登録日2011-07-11
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Moonlighting by Different Stressors: Crystal Structure of the Chaperone Species of a 2-Cys Peroxiredoxin.
Structure, 20, 2012
7ETJ
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BU of 7etj by Molmil
C5 portal vertex in the partially-enveloped virion capsid
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
著者Li, Z, Yu, X.
登録日2021-05-13
公開日2021-07-14
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
7ETO
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BU of 7eto by Molmil
C1 CVSC-binding penton vertex in the virion capsid of Human Cytomegalovirus
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
著者Li, Z, Yu, X.
登録日2021-05-13
公開日2021-07-14
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
4F74
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BU of 4f74 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA.
分子名称: N terminal product of substrate MA-CA, Protease
著者Schiffer, C.A, Mittal, S, Nalam, M.N.L.
登録日2012-05-15
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA.
To be Published
7F3H
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BU of 7f3h by Molmil
Crystal structure of cytochrome P450DA heme domain
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SERINE, ...
著者Wan, N.W.
登録日2021-06-16
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Directed evolution of cytochrome P450DA hydroxylase activity for stereoselective biohydroxylation
Catalysis Science And Technology, 12, 2022
4AEN
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BU of 4aen by Molmil
HLA-DR1 with covalently linked CLIP106-120 in reversed orientation
分子名称: GLYCEROL, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN GAMMA CHAIN, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ...
著者Schlundt, A, Guenther, S, Sticht, J, Wieczorek, M, Roske, Y, Heinemann, U, Freund, C.
登録日2012-01-11
公開日2012-08-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide Linkage to the Alpha-Subunit of Mhcii Creates a Stably Inverted Antigen Presentation Complex.
J.Mol.Biol., 423, 2012
7EY7
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BU of 7ey7 by Molmil
bacteriophage T7 tail complex
分子名称: Internal virion protein gp14, Tail fiber protein, Tail tubular protein gp11, ...
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
4F1E
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BU of 4f1e by Molmil
The Crystal Structure of a Human MitoNEET mutant with Asp 67 replaced by a Gly
分子名称: CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER
著者Baxter, E.I, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A.
登録日2012-05-06
公開日2012-12-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric control in a metalloprotein dramatically alters function.
Proc.Natl.Acad.Sci.USA, 110, 2013
4AED
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BU of 4aed by Molmil
Crystal structure of Human enterovirus 71
分子名称: CALCIUM ION, LAURIC ACID, VP1, ...
著者Plevka, P, Perera, R, Kuhn, R.J, Rossmann, M.G.
登録日2012-01-09
公開日2012-04-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal Structure of Human Enterovirus 71.
Science, 336, 2012
4F73
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BU of 4f73 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site
分子名称: ACETATE ION, GLYCEROL, N terminal product of substrate CA-p2, ...
著者Schiffer, C.A, Mittal, S, Nalam, M.N.L.
登録日2012-05-15
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site
To be Published
3VCZ
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BU of 3vcz by Molmil
1.80 Angstrom resolution crystal structure of a putative translation initiation inhibitor from Vibrio vulnificus CMCP6
分子名称: CALCIUM ION, Endoribonuclease L-PSP, GLYCEROL, ...
著者Halavaty, A.S, Minasov, G, Filippova, E.V, Dubrovska, I, Winsor, J, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-01-04
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.80 Angstrom resolution crystal structure of a putative translation initiation inhibitor from Vibrio vulnificus CMCP6
To be Published
3VCD
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BU of 3vcd by Molmil
Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32
分子名称: CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION
著者Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O.
登録日2012-01-03
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
3VJ6
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BU of 3vj6 by Molmil
Structure of the MHC class Ib molecule Qa-1b
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-37 alpha chain, ...
著者Zeng, L, Clements, C.S, Rossjohn, J.
登録日2011-10-12
公開日2012-03-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural basis for antigen presentation by the MHC class Ib molecule, Qa-1b
J.Immunol., 188, 2012
7JG8
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BU of 7jg8 by Molmil
Cryo-EM structure of bedaquiline-saturated Mycobacterium smegmatis ATP synthase rotational state 1 (backbone model)
分子名称: ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ...
著者Guo, H, Courbon, G.M, Rubinstein, J.L.
登録日2020-07-18
公開日2020-08-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline.
Nature, 589, 2021
7ICK
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BU of 7ick by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF MGCL2
分子名称: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-19
公開日1996-04-19
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
7ICG
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BU of 7icg by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF CDCL2
分子名称: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-19
公開日1996-04-19
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
7ICQ
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BU of 7icq by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF ZNCL2
分子名称: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-19
公開日1996-04-19
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
7JGA
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BU of 7jga by Molmil
Cryo-EM structure of bedaquiline-saturated Mycobacterium smegmatis ATP synthase rotational state 3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Guo, H, Courbon, G.M, Rubinstein, J.L.
登録日2020-07-18
公開日2020-08-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline.
Nature, 589, 2021
7JK4
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BU of 7jk4 by Molmil
Structure of Drosophila ORC bound to AT-rich DNA and Cdc6
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein, DNA (34-MER), ...
著者Schmidt, J.M, Bleichert, F.
登録日2020-07-27
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural mechanism for replication origin binding and remodeling by a metazoan origin recognition complex and its co-loader Cdc6.
Nat Commun, 11, 2020
7JGS
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BU of 7jgs by Molmil
Structure of Drosophila ORC bound to poly(dA/dT) DNA and Cdc6 (conformation 2)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, AT22044p1, Cell division control protein, ...
著者Schmidt, J.M, Bleichert, F.
登録日2020-07-19
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural mechanism for replication origin binding and remodeling by a metazoan origin recognition complex and its co-loader Cdc6.
Nat Commun, 11, 2020
7ICS
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BU of 7ics by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF ZNCL2
分子名称: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-19
公開日1996-04-19
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996

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