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8EBY
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BU of 8eby by Molmil
XPC release from Core7-XPA-DNA (AP)
Descriptor: DNA, DNA repair protein complementing XP-A cells, DNA repair protein complementing XP-C cells, ...
Authors:Kim, J, Yang, W.
Deposit date:2022-08-31
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBV
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BU of 8ebv by Molmil
Initial DNA-lesion (AP) binding by XPC and TFIIH complex 1
Descriptor: CALCIUM ION, Centrin-2, DNA, ...
Authors:Kim, J, Yang, W.
Deposit date:2022-08-31
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBW
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BU of 8ebw by Molmil
Initial DNA-lesion (AP) binding by XPC and TFIIH complex2
Descriptor: CALCIUM ION, Centrin-2, DNA, ...
Authors:Kim, J, Yang, W.
Deposit date:2022-08-31
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBX
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BU of 8ebx by Molmil
XPA repositioning Core7 of TFIIH relative to XPC-DNA lesion (AP)
Descriptor: CALCIUM ION, Centrin-2, DNA, ...
Authors:Kim, J, Yang, W.
Deposit date:2022-08-31
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
7KSP
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BU of 7ksp by Molmil
Crystal structure of hSAMD9_DBD with DNA
Descriptor: DNA, Sterile alpha motif domain-containing protein 9
Authors:Peng, S, Pathak, P, Xiang, Y, Deng, J.
Deposit date:2020-11-23
Release date:2022-01-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and function of an effector domain in antiviral factors and tumor suppressors SAMD9 and SAMD9L.
Proc.Natl.Acad.Sci.USA, 119, 2022
3DK6
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BU of 3dk6 by Molmil
Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
Descriptor: 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Lewis, H.A.
Deposit date:2008-06-24
Release date:2008-07-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
To be Published
6H4Q
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BU of 6h4q by Molmil
Crystal structure of human KDM4A in complex with compound 34a
Descriptor: 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Le Bihan, Y.V, van Montfort, R.L.M.
Deposit date:2018-07-23
Release date:2019-06-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
6H52
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BU of 6h52 by Molmil
Crystal structure of human KDM5B in complex with compound 34g
Descriptor: 1,2-ETHANEDIOL, 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
Authors:Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M.
Deposit date:2018-07-23
Release date:2019-06-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite: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
3DK3
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BU of 3dk3 by Molmil
Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
Descriptor: 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide, Proto-oncogene tyrosine-protein kinase ABL1, SULFATE ION
Authors:Lewis, H.A.
Deposit date:2008-06-24
Release date:2008-07-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
To be Published
7Y7J
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BU of 7y7j by Molmil
SARS-CoV-2 S trimer in complex with 1F Fab
Descriptor: 1F VH, 1F VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, S, Liu, F, Yang, X, Zhong, G.
Deposit date:2022-06-22
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
7Y7K
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BU of 7y7k by Molmil
SARS-CoV-2 RBD in complex with 1F Fab
Descriptor: 1F VH, 1F VL, Spike protein S1
Authors:Zhao, S, Liu, F, Yang, X, Zhong, G.
Deposit date:2022-06-22
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
4JPH
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BU of 4jph by Molmil
Crystal structure of Protein Related to DAN and Cerberus (PRDC)
Descriptor: CITRIC ACID, GLUTATHIONE, GLYCEROL, ...
Authors:Deng, X, Nolan, K.T, Kattamuri, C, Thompson, T.B.
Deposit date:2013-03-19
Release date:2013-07-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of protein related to dan and cerberus: insights into the mechanism of bone morphogenetic protein antagonism.
Structure, 21, 2013
4OO8
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BU of 4oo8 by Molmil
Crystal structure of Streptococcus pyogenes Cas9 in complex with guide RNA and target DNA
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(*CP*CP*AP*GP*CP*CP*AP*AP*GP*CP*GP*CP*AP*CP*CP*TP*AP*AP*TP*TP*TP*CP*C)-3'), RNA (97-MER)
Authors:Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2014-01-31
Release date:2014-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Cas9 in complex with guide RNA and target DNA
Cell(Cambridge,Mass.), 156, 2014
7AMZ
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BU of 7amz by Molmil
Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide
Descriptor: 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A.
Deposit date:2020-10-10
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.
Eur.J.Med.Chem., 218, 2021
7B8C
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BU of 7b8c by Molmil
Notum-Fragment 147
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B84
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BU of 7b84 by Molmil
Notum-Fragment065
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B87
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BU of 7b87 by Molmil
Notum-Fragment074
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B4X
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BU of 7b4x by Molmil
Notum complex with ARUK3002697
Descriptor: 1,2-ETHANEDIOL, 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one, DIMETHYL SULFOXIDE, ...
Authors:Jones, E.Y, Fish, P.
Deposit date:2020-12-02
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B86
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BU of 7b86 by Molmil
Notum-Fragment067
Descriptor: 1,2-ETHANEDIOL, 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B8D
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BU of 7b8d by Molmil
Notum-Fragment 151
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B89
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BU of 7b89 by Molmil
Notum-Fragment077
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
1UEL
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BU of 1uel by Molmil
Solution structure of ubiquitin-like domain of hHR23B complexed with ubiquitin-interacting motif of proteasome subunit S5a
Descriptor: 26S proteasome non-ATPase regulatory subunit 4, UV excision repair protein RAD23 homolog B
Authors:Fujiwara, K, Tenno, T, Jee, J.G, Sugasawa, K, Ohki, I, Kojima, C, Tochio, H, Hiroaki, H, Hanaoka, H, Shirakawa, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-19
Release date:2004-02-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure of the Ubiquitin-interacting Motif of S5a Bound to the Ubiquitin-like Domain of HR23B
J.Biol.Chem., 279, 2004
3MR6
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BU of 3mr6 by Molmil
Human DNA polymerase eta - DNA ternary complex with a CPD 2bp upstream of the active site (TT4)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*C*AP*TP*CP*AP*(TTD)P*AP*CP*GP*AP*GP*C)-3'), DNA (5'-D(*TP*CP*TP*CP*GP*TP*AP*AP*T)-3'), ...
Authors:Biertumpfel, C, Zhao, Y, Ramon-Maiques, S, Gregory, M.T, Lee, J.Y, Yang, W.
Deposit date:2010-04-28
Release date:2010-06-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and mechanism of human DNA polymerase eta.
Nature, 465, 2010
3MR2
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BU of 3mr2 by Molmil
Human DNA polymerase eta in complex with normal DNA and incoming nucleotide (Nrm)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*T*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Biertumpfel, C, Zhao, Y, Ramon-Maiques, S, Gregory, M.T, Lee, J.Y, Yang, W.
Deposit date:2010-04-28
Release date:2010-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure and mechanism of human DNA polymerase eta.
Nature, 465, 2010
3JVE
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BU of 3jve by Molmil
Crystal Structure of the Sixth BRCT Domain of TopBP1
Descriptor: DNA topoisomerase 2-binding protein 1
Authors:Leung, C.C, Kellogg, E, Baker, D, Glover, J.N.M.
Deposit date:2009-09-16
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Insights from the crystal structure of the sixth BRCT domain of topoisomerase IIbeta binding protein 1.
Protein Sci., 19, 2010

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