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6NIM
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BU of 6nim by Molmil
Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
Descriptor: Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ...
Authors:Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC)
Deposit date:2018-12-29
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
to be published
6OGN
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BU of 6ogn by Molmil
Crystal structure of mouse protein arginine methyltransferase 7 in complex with SGC8158 chemical probe
Descriptor: 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, Protein arginine N-methyltransferase 7, UNKNOWN ATOM OR ION, ...
Authors:Halabelian, L, Dong, A, Zeng, H, Li, Y, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-04-03
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pharmacological inhibition of PRMT7 links arginine monomethylation to the cellular stress response.
Nat Commun, 11, 2020
6OEB
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BU of 6oeb by Molmil
Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ...
Authors:Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-03-27
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
7LMT
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BU of 7lmt by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
Descriptor: Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide
Authors:Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-02-05
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
To Be Published
9BBE
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BU of 9bbe by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028668
Descriptor: 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ...
Authors:Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystal structure of human DDB1 bound to fragment UB028668
To be published
9BBG
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BU of 9bbg by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028671
Descriptor: 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ...
Authors:Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Co-crystal structure of human DDB1 bound to fragment UB028671
To be published
9BBH
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BU of 9bbh by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028670
Descriptor: 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ...
Authors:Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystal structure of human DDB1 bound to fragment UB028670
To be published
9BBI
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BU of 9bbi by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028669
Descriptor: 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ...
Authors:Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Co-crystal structure of human DDB1 bound to fragment UB028669
To be published
7MS6
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BU of 7ms6 by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (2-fluoro-4-((4-phenylpiperidin-1-yl)sulfonyl)benzoyl)glycine
Descriptor: 1,2-ETHANEDIOL, N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine, SULFATE ION, ...
Authors:Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M.
Deposit date:2021-05-10
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
7MWM
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BU of 7mwm by Molmil
Crystal structure of MBD2 with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
Authors:Liu, K, Dong, A, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal structure of MBD2 with DNA
To Be Published
7MWK
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BU of 7mwk by Molmil
Crystal structure of MBD2 with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*(MC)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
Authors:Liu, K, Dong, A, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:Crystal structure of MBD2 with DNA
To Be Published
7MWL
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BU of 7mwl by Molmil
The TAM domain of BAZ2A in complex with a 12mer mCG DNA
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), GLYCEROL
Authors:Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The TAM domain of BAZ2A in complex with a 12mer mCG DNA
To Be Published
7N27
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BU of 7n27 by Molmil
Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261
Descriptor: Isoform 2 of Chromodomain Y-like protein, SODIUM ION, UNKNOWN ATOM OR ION, ...
Authors:Beldar, S, Dong, A, Loppnau, P, Min, J, Arrowsmith, C.H, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2021-05-28
Release date:2021-07-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261
To Be Published
7M3X
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BU of 7m3x by Molmil
Crystal Structure of the Apo Form of Human RBBP7
Descriptor: Histone-binding protein RBBP7, UNKNOWN ATOM OR ION
Authors:Righetto, G.L, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-03-19
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of the Apo Form of Human RBBP7
To Be Published
7MDN
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BU of 7mdn by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
Descriptor: Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide
Authors:Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-04-05
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.
Nat.Chem.Biol., 18, 2022
7M40
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BU of 7m40 by Molmil
Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
Descriptor: Histone-binding protein RBBP4, N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine
Authors:Perveen, S, Dong, A, Tempel, W, Zepeda-Velazquez, C, Abbey, M, McLeod, D, Marcellus, R, Mohammed, M, Ensan, D, Panagopoulos, D, Trush, V, Gibson, E, Brown, P.J, Arrowsmith, C.H, Schapira, M, Al-awar, R, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2021-03-19
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
To Be Published
7NNS
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BU of 7nns by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib
Descriptor: 1,2-ETHANEDIOL, Activin receptor type I, Momelotinib, ...
Authors:Williams, E, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2021-02-25
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib
To Be Published
1COK
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BU of 1cok by Molmil
STRUCTURE OF THE C-TERMINAL DOMAIN OF P73
Descriptor: PROTEIN (SECOND SPLICE VARIANT P73)
Authors:Chi, S.-W, Ayed, A, Arrowsmith, C.H.
Deposit date:1999-05-28
Release date:1999-08-17
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of a conserved C-terminal domain of p73 with structural homology to the SAM domain.
EMBO J., 18, 1999
7MT1
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BU of 7mt1 by Molmil
Crystal structure of Human Platelet-activating factor acetylhydrolase IB subunit beta (PAFAH1B1)
Descriptor: GLYCEROL, Platelet-activating factor acetylhydrolase IB subunit beta, UNKNOWN ATOM OR ION
Authors:Hutchinson, A, Seitova, A, Dong, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-05-12
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of Human Platelet-activating factor acetylhydrolase IB subunit beta (PAFAH1B1)
To Be Published
7MS7
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BU of 7ms7 by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (5-((4-(4-chlorophenyl)piperidin-1-yl)sulfonyl)picolinoyl)glycine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine, ...
Authors:Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M.
Deposit date:2021-05-10
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
7MS5
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BU of 7ms5 by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-(4-(3,4-difluoro-phenyl)-piperidin-1-ylsulfonyl)-phenyl)-4-oxo-butanoic acid
Descriptor: 1,2-ETHANEDIOL, 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid, CALCIUM ION, ...
Authors:Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M, Structural Genomics Consortium (SGC)
Deposit date:2021-05-10
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
1EF4
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BU of 1ef4 by Molmil
SOLUTION STRUCTURE OF THE ESSENTIAL RNA POLYMERASE SUBUNIT RPB10 FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
Descriptor: DNA-DIRECTED RNA POLYMERASE, ZINC ION
Authors:Mackereth, C.D, Arrowsmith, C.H, Edwards, A.M, Mcintosh, L.P, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-02-07
Release date:2000-06-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Zinc-bundle structure of the essential RNA polymerase subunit RPB10 from Methanobacterium thermoautotrophicum.
Proc.Natl.Acad.Sci.USA, 97, 2000
1EO0
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BU of 1eo0 by Molmil
CONSERVED DOMAIN COMMON TO TRANSCRIPTION FACTORS TFIIS, ELONGIN A, CRSP70
Descriptor: TRANSCRIPTION ELONGATION FACTOR S-II
Authors:Booth, V, Koth, C, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-03-21
Release date:2000-05-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of a conserved domain common to the transcription factors TFIIS, elongin A, and CRSP70
J.Biol.Chem., 275, 2000
1EIW
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BU of 1eiw by Molmil
Solution structure of hypothetical protein MTH538 from Methanobacterium thermoautotrophicum
Descriptor: HYPOTHETICAL PROTEIN MTH538
Authors:Cort, J.R, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-02-29
Release date:2000-09-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure-based functional classification of hypothetical protein MTH538 from Methanobacterium thermoautotrophicum.
J.Mol.Biol., 302, 2000
1EO1
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BU of 1eo1 by Molmil
Solution structure of hypothetical protein MTH1175 from Methanobacterium thermoautotrophicum
Descriptor: HYPOTHETICAL PROTEIN MTH1175
Authors:Cort, J.R, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-03-21
Release date:2000-12-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR Structure Determination and Structure-Based Functional Characterization of Conserved Hypothetical Protein MTH1175 from Methanobacterium Thermoautotrophicum
J.STRUCT.FUNCT.GENOM., 1, 2000

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