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8RSC
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BU of 8rsc by Molmil
p97 (VCP) mutant - F539A
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2024-01-24
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献p97 (VCP) mutant - F539A
To Be Published
8RSB
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p97 (VCP) mutant - F539A ADP state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2024-01-24
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献p97 (VCP) mutant - F539A ADP state
To Be Published
8RFM
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BU of 8rfm by Molmil
Human NOQ1 enzyme in complex with NADH by serial crystallography
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L.
登録日2023-12-13
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
8RS9
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BU of 8rs9 by Molmil
p97 (VCP) double mutant - F266A F539A
分子名称: Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2024-01-24
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献p97 (VCP) double mutant - F266A F539A
To Be Published
8RFN
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BU of 8rfn by Molmil
Human NOQ1 enzyme in its holo form by serial crystallography
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L.
登録日2023-12-13
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
5GRQ
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BU of 5grq by Molmil
Crystal Structure of DHB domain of Daxx in complex with an ATRX peptide
分子名称: ACETATE ION, CHLORIDE ION, Death domain-associated protein 6, ...
著者Li, H.
登録日2016-08-12
公開日2017-09-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献Crystal Structure of DHB domain of Daxx in complex with an ATRX peptide
To be published
5GG4
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BU of 5gg4 by Molmil
Crystal structure of USP7 with RNF169 peptide
分子名称: Peptide from E3 ubiquitin-protein ligase RNF169, Ubiquitin carboxyl-terminal hydrolase 7
著者Jiang, Y, Gong, Q.
登録日2016-06-15
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Dual-utility NLS drives RNF169-dependent DNA damage responses.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8SVG
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BU of 8svg by Molmil
Ubiquitin variant i53 in complex with 53BP1 Tudor domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53
著者Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVH
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BU of 8svh by Molmil
Ubiquitin variant i53 mutant L67R bound to 53BP1 Tudor Domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53: mutant L67R
著者Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVI
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BU of 8svi by Molmil
Ubiquitin variant i53:Mutant L67H with 53BP1 Tudor domain
分子名称: GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin Variant i53: Mutant L67H
著者Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVJ
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BU of 8svj by Molmil
Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain
分子名称: GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin varient i53 mutant VHH
著者Holden, J, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8T2D
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BU of 8t2d by Molmil
Ubiquitin variant i53:Mutant T12Y.T14E.L67R with 53BP1 Tudor domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53
著者Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A.
登録日2023-06-05
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8T9A
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BU of 8t9a by Molmil
CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3
分子名称: DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1, Melanoma-associated antigen 3
著者Duda, D, Righetto, G, Li, Y, Loppnau, P, Seitova, A, Santhakumar, V, Halabelian, L, Yin, Y.
登録日2023-06-23
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3
To Be Published
5FD3
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BU of 5fd3 by Molmil
Structure of Lin54 tesmin domain bound to DNA
分子名称: DNA (5'-D(*CP*AP*GP*TP*TP*TP*CP*AP*AP*AP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*TP*TP*TP*GP*AP*AP*AP*CP*T)-3'), Protein lin-54 homolog, ...
著者Marceau, A.H, Felthousen, J.G, Goetsch, P.D, Lee, H, Tripathi, S.M, Strome, S, Litovchick, L, Rubin, S.M.
登録日2015-12-15
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural basis for LIN54 recognition of CHR elements in cell cycle-regulated promoters.
Nat Commun, 7, 2016
5FZ9
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BU of 5fz9 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment thieno(3,2-b)thiophene-5-carboxylic acid (N06263b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-12
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Thieno(3,2-B)Thiophene -5-Carboxylic Acid (N06263B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FF8
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BU of 5ff8 by Molmil
TDG enzyme-product complex
分子名称: DNA, G/T mismatch-specific thymine DNA glycosylase
著者Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2015-12-18
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues.
Nucleic Acids Res., 44, 2016
5FH8
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BU of 5fh8 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28
分子名称: 1,2-ETHANEDIOL, 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, DIMETHYL SULFOXIDE, ...
著者Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
登録日2015-12-21
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
5FJB
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BU of 5fjb by Molmil
Cyclophilin A Stabilize HIV-1 Capsid through a Novel Non- canonical Binding Site
分子名称: GAG POLYPROTEIN, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Liu, C, Perilla, J.R, Ning, J, Lu, M, Hou, G, Ramalhu, R, Bedwell, G.J, Ahn, J, Shi, J, Gronenborn, A.M, Prevelige Jr, P.E, Rousso, I, Aiken, C, Polenova, T, Schulten, K, Zhang, P.
登録日2015-10-07
公開日2016-03-16
最終更新日2017-08-23
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Cyclophilin a Stabilizes the HIV-1 Capsid Through a Novel Non-Canonical Binding Site.
Nat.Commun., 7, 2016
8R0E
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BU of 8r0e by Molmil
p97 (VCP) mutant - F266A
分子名称: Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2023-10-31
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献p97 (VCP) mutant - F266A
To Be Published
5EI4
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BU of 5ei4 by Molmil
First domain of human bromodomain BRD4 in complex with inhibitor 8-(5-Amino-1H-[1,2,4]triazol-3-ylsulfanylmethyl)-3-(4-chlorobenzyl)-7-ethyl-3,7-dihydropurine-2,6-dione
分子名称: 1,2-ETHANEDIOL, 8-[(3-azanyl-1~{H}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4
著者Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
登録日2015-10-29
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
J.Med.Chem., 59, 2016
8SSW
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BU of 8ssw by Molmil
Crystal structure of DEAD-box RNA helicase DDX3X in complex with ADP at pre-unwound state
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX3X, ...
著者Song, H, Ji, X.
登録日2023-05-09
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of DEAD-box RNA helicase DDX3X in complex with ADP at pre-unwound state
To be published
8QDY
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BU of 8qdy by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 8
分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
5EIS
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BU of 5eis by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-(4-Chlorobenzyl)-7-ethyl-3,7-dihydropurine-2,6-dione
分子名称: 1,2-ETHANEDIOL, 3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4
著者Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
登録日2015-10-30
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
J.Med.Chem., 59, 2016
8QE0
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BU of 8qe0 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE2
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BU of 8qe2 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.109 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024

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件を2024-07-17に公開中

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