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6PBG
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BU of 6pbg by Molmil
Crystal structure of WD-repeat domain of human coatomer subunit Alpha (COPA)
分子名称: Coatomer subunit alpha, L(+)-TARTARIC ACID, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-06-13
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure of W repeat domain of human coatomer subunit Alpha (COPA)
to be published
5TF2
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CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN
分子名称: Prolactin regulatory element-binding protein, UNKNOWN ATOM OR ION
著者Walker, J.R, Zhang, Q, Dong, A, Wernimont, A, Li, Y, He, H, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Chen, Z, Tong, Y, Structural Genomics Consortium (SGC)
登録日2016-09-23
公開日2016-11-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN (CASP target)
To be published
8EM8
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BU of 8em8 by Molmil
Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165
分子名称: UNKNOWN ATOM OR ION, [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone, cGMP-dependent protein kinase, ...
著者Hutchinson, A, Dong, A, Seitova, A, Bhanot, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-09-27
公開日2022-11-02
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials.
J.Med.Chem., 67, 2024
6P7I
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Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound
分子名称: GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ...
著者Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2019-06-05
公開日2019-06-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor
J.Med.Chem., 63, 2020
6XKB
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Crystal structure of SR-related and CTD-associated factor 4(SCAF4-CID)with peptide S2,S5p-CTD
分子名称: S2,S5p-CTD peptide, SR-related and CTD-associated factor 4, UNKNOWN ATOM OR ION
著者Zhou, M.Q, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2020-06-26
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the recognition of the S2, S5-phosphorylated RNA polymerase II CTD by the mRNA anti-terminator protein hSCAF4.
Febs Lett., 596, 2022
8SHJ
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Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279
分子名称: N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-04-14
公開日2023-07-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
1R6X
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The Crystal Structure of a Truncated Form of Yeast ATP Sulfurylase, Lacking the C-Terminal APS Kinase-like Domain, in complex with Sulfate
分子名称: ATP:sulfate adenylyltransferase, COBALT (II) ION, SULFATE ION
著者Lalor, D.J, Schnyder, T, Saridakis, V, Pilloff, D.E, Dong, A, Tang, H, Leyh, T.S, Pai, E.F.
登録日2003-10-17
公開日2003-11-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and functional analysis of a truncated form of Saccharomyces cerevisiae ATP sulfurylase: C-terminal domain essential for oligomer formation but not for activity
Protein Eng., 16, 2003
1Q0T
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Ternary Structure of T4DAM with AdoHcy and DNA
分子名称: 5'-D(*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*T)-3', DNA adenine methylase, IODIDE ION, ...
著者Yang, Z, Horton, J.R, Zhou, L, Zhang, X.J, Dong, A, Zhang, X, Schlagman, S.L, Kossykh, V, Hattman, S, Cheng, X.
登録日2003-07-17
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the bacteriophage T4 DNA adenine methyltransferase
Nat.Struct.Biol., 10, 2003
3SMQ
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Crystal structure of protein arginine methyltransferase 3
分子名称: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ...
著者Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
3CQV
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BU of 3cqv by Molmil
Crystal structure of Reverb beta in complex with heme
分子名称: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING FE
著者Xu, X, Dong, A, Pardee, K.I, Reinking, J, Krause, H, Schuetz, A, Zhang, R, Cui, H, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Savchenko, A, Botchkarev, A, Structural Genomics Consortium (SGC)
登録日2008-04-03
公開日2008-08-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural basis of gas-responsive transcription by the human nuclear hormone receptor REV-ERBbeta.
Plos Biol., 7, 2009
1Q0S
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Binary Structure of T4DAM with AdoHcy
分子名称: DNA adenine methylase, S-ADENOSYL-L-HOMOCYSTEINE
著者Yang, Z, Horton, J.R, Zhou, L, Zhang, X.J, Dong, A, Zhang, X, Schlagman, S.L, Kossykh, V, Hattman, S, Cheng, X.
登録日2003-07-17
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the bacteriophage T4 DNA adenine methyltransferase
Nat.Struct.Biol., 10, 2003
6WAD
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BU of 6wad by Molmil
Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
分子名称: 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
著者Halabelian, L, Zeng, H, Dong, A, Schapira, M, De Freitas, R.F, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2020-03-25
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
to be published
9BBH
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BU of 9bbh by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028670
分子名称: 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ...
著者Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-05
公開日2024-06-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystal structure of human DDB1 bound to fragment UB028670
To be published
9BBG
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Co-crystal structure of human DDB1 bound to fragment UB028671
分子名称: 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ...
著者Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Co-crystal structure of human DDB1 bound to fragment UB028671
To be published
9BBI
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Co-crystal structure of human DDB1 bound to fragment UB028669
分子名称: 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ...
著者Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Co-crystal structure of human DDB1 bound to fragment UB028669
To be published
9DPF
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Crystal structure of TMPRSS11D S368A complexed with its own zymogen activation motif
分子名称: 1,2-ETHANEDIOL, Transmembrane protease serine 11D, Transmembrane protease serine 11D non-catalytic chain
著者Fraser, B.J, Dong, A, Ilyassov, O, Seitova, A, Li, Y, Edwards, A, Benard, F, Arrowsmith, C, Structural Genomics Consortium (SGC)
登録日2024-09-21
公開日2024-10-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of TMPRSS11D S368A complexed with its own zymogen activation motif
To Be Published
9BBE
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BU of 9bbe by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028668
分子名称: 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ...
著者Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-05
公開日2024-06-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystal structure of human DDB1 bound to fragment UB028668
To be published
8T55
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Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
分子名称: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-06-12
公開日2023-07-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
3CE7
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Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510
分子名称: Specific mitochondrial acyl carrier protein
著者Wernimont, A.K, Dong, A, Yang, C, Khuu, C, Lam, A, Brand, V, Kozieradzki, I, Cossar, D, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
登録日2008-02-28
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510.
To be Published
2R8W
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The crystal structure of dihydrodipicolinate synthase (Atu0899) from Agrobacterium tumefaciens str. C58
分子名称: ACETATE ION, AGR_C_1641p, CHLORIDE ION
著者Tan, K, Dong, A, Xu, X, Gu, J, Zheng, H, Edwards, A.M, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-09-11
公開日2007-09-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of dihydrodipicolinate synthase (Atu0899) from Agrobacterium tumefaciens str. C58.
To be Published
2R9Q
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Crystal structure of 2'-deoxycytidine 5'-triphosphate deaminase from Agrobacterium tumefaciens
分子名称: 2'-deoxycytidine 5'-triphosphate deaminase, Synthetic peptide 1, Synthetic peptide 2
著者Zhang, R, Dong, A, Xu, X, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-09-13
公開日2007-10-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of 2'-deoxycytidine 5'-triphosphate deaminase from Agrobacterium tumefaciens.
To be Published
2PWQ
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Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii
分子名称: Ubiquitin conjugating enzyme
著者Qiu, W, Dong, A, Hassanali, A, Lin, L, Brokx, S, Altamentova, S, Hills, T, Lew, J, Ravichandran, M, Kozieradzki, I, Zhao, Y, Schapira, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2007-05-11
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii.
To be Published
2QKR
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Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with indirubin 3'-monoxime bound
分子名称: (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, Cdc2-like CDK2/CDC28 like protein kinase
著者Wernimont, A.K, Dong, A, Lew, J, Lin, Y.H, Hassanali, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2007-07-11
公開日2007-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with indirubin 3'-monoxime bound.
To be Published
5TCM
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First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Uncharacterized protein
著者Lin, Y.H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2016-09-15
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
To be published
5TCK
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Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Bromosporine, ...
著者Lin, L.-H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2016-09-15
公開日2016-11-09
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine
To Be Published

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