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8BI6
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BU of 8bi6 by Molmil
Crystal structure of human Choline Kinase A in complex with UNC0638
Descriptor: 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ...
Authors:Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2022-11-01
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human Choline Kinase A in complex with UNC0638
To Be Published
7YXY
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BU of 7yxy by Molmil
Cryo-EM structure of USP9X, local refinement of monomer
Descriptor: Probable ubiquitin carboxyl-terminal hydrolase FAF-X
Authors:Deme, J.C, Halabelian, L, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
Deposit date:2022-02-16
Release date:2022-03-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of USP9X
To Be Published
7YXX
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BU of 7yxx by Molmil
Cryo-EM structure of USP9X
Descriptor: Probable ubiquitin carboxyl-terminal hydrolase FAF-X
Authors:Deme, J.C, Halabelian, L, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
Deposit date:2022-02-16
Release date:2022-03-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of USP9X
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
9BKS
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BU of 9bks by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12
Authors:Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-29
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
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
9BKR
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BU of 9bkr by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION
Authors:Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-29
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
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
9C61
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BU of 9c61 by Molmil
Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26
Descriptor: (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one, Non-specific serine/threonine protein kinase, UNKNOWN ATOM OR ION
Authors:Zeng, H, Dong, A, Kutera, M, Ilyassov, O, Seitova, A, Loppnau, P, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L.
Deposit date:2024-06-07
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26
To be published
9C1Q
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BU of 9c1q by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ...
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L.
Deposit date:2024-05-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
To be published
4CUS
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BU of 4cus by Molmil
Crystal structure of human BAZ2B in complex with fragment-4 N09496
Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, quinolin-4-ol
Authors:Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2014-03-21
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Crystal Structure of Human Baz2B in Complex with Fragment-4 N09496
To be Published
4D6R
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BU of 4d6r by Molmil
crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound o-toluenesulfonamide
Descriptor: 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 4D, N-OXALYLGLYCINE, ...
Authors:Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2014-11-14
Release date:2014-12-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound O-Toluenesulfonamide
To be Published
4D6Q
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BU of 4d6q by Molmil
crystal structure of human JMJD2D in complex with 2,4-PDCA
Descriptor: 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 4D, NICKEL (II) ION, ...
Authors:Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2014-11-14
Release date:2014-12-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.292 Å)
Cite:Crystal Structure of Human Jmjd2D in Complex with 2,4-Pdca
To be Published
4CUQ
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BU of 4cuq by Molmil
Crystal structure of human BAZ2B in complex with fragment-2 N09594
Descriptor: 4-[(3S)-3-hydroxy-3-methoxypropyl]phenol, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
Authors:Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2014-03-21
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal Structure of Human Baz2B in Complex with Fragment-2 N09594
To be Published
4CUP
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BU of 4cup by Molmil
Crystal structure of human BAZ2B in complex with fragment-1 N09421
Descriptor: 4-Fluorobenzamidoxime, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, METHANOL
Authors:Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2014-03-21
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of Human Baz2B in Complex with Fragment-1 N09421
To be Published
1TVI
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BU of 1tvi by Molmil
Solution structure of TM1509 from Thermotoga maritima: VT1, a NESGC target protein
Descriptor: Hypothetical UPF0054 protein TM1509
Authors:Penhoat, C.H, Atreya, H.S, Kim, S, Li, Z, Yee, A, Xiao, R, Murray, D, Arrowsmith, C.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-06-29
Release date:2005-01-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR solution structure of Thermotoga maritima protein TM1509 reveals a Zn-metalloprotease-like tertiary structure.
J.STRUCT.FUNCT.GENOM., 6, 2005
2W0I
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BU of 2w0i by Molmil
Structure Of C-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain Of Human Twinfilin-2
Descriptor: TWINFILIN-2
Authors:Elkins, J.M, Pike, A.C.W, Salah, E, Savitsky, P, Murray, J.W, Roos, A, von Delft, F, Edwards, A, Arrowsmith, C.H, Wikstrom, M, Bountra, C, Knapp, S.
Deposit date:2008-08-18
Release date:2008-09-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of C-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain of Human Twinfilin- 2
To be Published
2VWR
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BU of 2vwr by Molmil
Crystal structure of the second pdz domain of numb-binding protein 2
Descriptor: LIGAND OF NUMB PROTEIN X 2
Authors:Roos, A.K, Guo, K, Burgess-Brown, N, Yue, W.W, Elkins, J.M, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C.H, Wikstom, M, Edwards, A, von Delft, F, Bountra, C, Doyle, D, Oppermann, U.
Deposit date:2008-06-26
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of the Second Pdz Domain of the Human Numb-Binding Protein 2
To be Published
2VUX
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BU of 2vux by Molmil
Human ribonucleotide reductase, subunit M2 B
Descriptor: FE (III) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE SUBUNIT M2 B
Authors:Welin, M, Moche, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, van Den Berg, S, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2008-05-31
Release date:2008-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human Ribonucleotide Reductase, Subunit M2 B
To be Published
2W4O
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BU of 2w4o by Molmil
Crystal structure of Human CAMK4 in complex with 4-Amino(sulfamoyl- phenylamino)-triazole-carbothioic acid (2,6-difluoro-phenyl)-amide)
Descriptor: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE IV
Authors:Muniz, J.R.C, Rellos, P, Gileadi, O, Fedorov, O, Filippakopoulos, P, Salah, E, Pike, A, Phillips, C, Niesen, F, Shrestha, L, Burgess-Brown, N, Bullock, A, Berridge, G, von Delft, F, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Knapp, S.
Deposit date:2008-11-28
Release date:2009-01-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal Structure of Human Camk4 in Complex with 4-Amino(Sulfamoyl-Phenylamino)-Triazole- Carbothioic Acid (2,6-Difluoro-Phenyl)-Amide)
To be Published
2W4M
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BU of 2w4m by Molmil
The Crystal Structure of human N-acetylneuraminic acid phosphatase, NANP
Descriptor: CHLORIDE ION, N-ACYLNEURAMINATE-9-PHOSPHATASE, PHOSPHATE ION, ...
Authors:Ugochukwu, E, Cocking, R, Yue, W.W, Pike, A.C.W, Roos, A, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
Deposit date:2008-11-28
Release date:2008-12-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of Human N-Acetylneuraminic Acid Phosphatase, Nanp
To be Published
2W4F
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BU of 2w4f by Molmil
CRYSTAL STRUCTURE OF THE FIRST PDZ DOMAIN OF HUMAN SCRIB1
Descriptor: 1,2-ETHANEDIOL, PROTEIN LAP4
Authors:Hozjan, V, Pilka, E.S, Roos, A.K, W Yue, W, Phillips, C, Bray, J, Cooper, C, Salah, E, Elkins, J.M, Muniz, J.R.C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, von Delft, F, Bountra, C, Doyle, D.A, Oppermann, U.
Deposit date:2008-11-25
Release date:2008-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of the First Pdz Domain of Human Scrib1
To be Published
8UWP
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BU of 8uwp by Molmil
Crystal structure of SETDB1 Tudor domain in complex with MR46747
Descriptor: (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ...
Authors:Shrestha, S, Beldar, S, Dong, A, Ackloo, S, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-11-07
Release date:2023-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of SETDB1 Tudor domain in complex with MR46747
To be published
8V1P
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BU of 8v1p by Molmil
CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092
Descriptor: Glucose-induced degradation protein 4 homolog, N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide
Authors:Dong, C, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-11-21
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092
To be published
8VL7
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BU of 8vl7 by Molmil
Co-crystal structure of human TREX1 in complex with an inhibitor
Descriptor: (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L.
Deposit date:2024-01-11
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Co-crystal structure of human TREX1 in complex with an inhibitor
To be published

224931

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