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PDB: 275 results

8F8E
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BU of 8f8e by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
Descriptor: (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1
Authors:Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-11-21
Release date:2023-03-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
To be published
7U9I
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BU of 7u9i by Molmil
Co-crystal structure of human CARM1 in complex with MT556 inhibitor
Descriptor: 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
Authors:Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-03-10
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystal structure of human CARM1 in complex with MT556 inhibitor
To Be Published
1NLU
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BU of 1nlu by Molmil
Pseudomonas sedolisin (serine-carboxyl proteinase) complexed with two molecules of pseudo-iodotyrostatin
Descriptor: CALCIUM ION, PSEUDO-IODOTYROSTATIN, SEDOLISIN
Authors:Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Glodfarb, N.E, Dunn, B.M, Oda, K.
Deposit date:2003-01-07
Release date:2004-01-20
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Two inhibitor molecules bound in the active site of Pseudomonas sedolisin: a model for the bi-product complex following cleavage of a peptide substrate.
Biochem.Biophys.Res.Commun., 314, 2004
1GA4
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BU of 1ga4 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF PSCP (PSEUDOMONAS SERINE-CARBOXYL PROTEINASE) COMPLEXED WITH INHIBITOR PSEUDOIODOTYROSTATIN (THIS ENZYME RENAMED "SEDOLISIN" IN 2003)
Descriptor: CALCIUM ION, GLYCEROL, PSEUDOIODOTYROSTATIN, ...
Authors:Wlodawer, A, Li, M, Dauter, Z, Gustchina, A, Uchida, K.
Deposit date:2000-11-29
Release date:2000-12-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Carboxyl proteinase from Pseudomonas defines a novel family of subtilisin-like enzymes.
Nat.Struct.Biol., 8, 2001
2B7F
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BU of 2b7f by Molmil
Crystal structure of human T-cell leukemia virus protease, a novel target for anti-cancer design
Descriptor: (ACE)APQV(STA)VMHP peptide, HTLV protease, PHOSPHATE ION
Authors:Li, M, Laco, G.S, Jaskolski, M, Rozycki, J, Alexandratos, J, Wlodawer, A, Gustchina, A.
Deposit date:2005-10-04
Release date:2005-12-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human T cell leukemia virus protease, a novel target for anticancer drug design
Proc.Natl.Acad.Sci.Usa, 102, 2005
3KVG
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BU of 3kvg by Molmil
Crystal structure of the N-terminal domain of Hsp70 (cgd2_20) from Cryptosporidium parvum in complex with AMPPNP
Descriptor: 1,2-ETHANEDIOL, Heat shock 70 (HSP70) protein, PHOSPHATE ION, ...
Authors:Wernimont, A.K, Hutchinson, A, Sullivan, H, Lew, J, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2009-11-30
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the N-terminal domain of Hsp70 (cgd2_20) from Cryptosporidium parvum in complex with AMPPNP
To be Published
3L4I
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BU of 3l4i by Molmil
CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Lew, J, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2009-12-20
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate
To be Published
3LIN
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BU of 3lin by Molmil
crystal structure of HTLV protease complexed with the inhibitor, KNI-10562
Descriptor: N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide, Protease
Authors:Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
Deposit date:2010-01-25
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LIQ
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BU of 3liq by Molmil
Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673
Descriptor: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide, Protease
Authors:Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
Deposit date:2010-01-25
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LIY
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BU of 3liy by Molmil
crystal structure of HTLV protease complexed with Statine-containing peptide inhibitor
Descriptor: DI(HYDROXYETHYL)ETHER, Protease, statine-containing inhibitor
Authors:Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
Deposit date:2010-01-25
Release date:2010-07-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LIX
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BU of 3lix by Molmil
crystal structure of htlv protease complexed with the inhibitor KNI-10729
Descriptor: N-{(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-{[(1R)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide, Protease, ZINC ION
Authors:Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
Deposit date:2010-01-25
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LLT
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BU of 3llt by Molmil
Crystal structure of PF14_0431, kinase domain.
Descriptor: ACETATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Wernimont, A.K, Tempel, W, Lin, Y.H, Loppnau, P, MacKenzie, F, Sullivan, H, Weadge, J, Kozieradzki, I, Cossar, D, Sinesterra, G, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Hutchinson, A, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of PF14_0431, kinase domain.
TO BE PUBLISHED
3LJC
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BU of 3ljc by Molmil
Crystal structure of Lon N-terminal domain.
Descriptor: ATP-dependent protease La
Authors:Li, M, Gustchina, A, Dauter, Z, Wlodawer, A.
Deposit date:2010-01-26
Release date:2010-07-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the N-terminal fragment of Escherichia coli Lon protease
Acta Crystallogr.,Sect.D, 66, 2010
3LIV
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BU of 3liv by Molmil
crystal structure of HTLV protease complexed with the inhibitor KNI-10683
Descriptor: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, Protease
Authors:Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
Deposit date:2010-01-25
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3L6Q
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BU of 3l6q by Molmil
Crystal structure of the N-terminal domain of HSP70 from Cryptosporidium parvum (CGD2_20)
Descriptor: Heat shock 70 (HSP70) protein, MAGNESIUM ION, SULFATE ION
Authors:Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Lew, J, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2009-12-24
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of the N-terminal domain of HSP70 from Cryptosporidium parvum (CGD2_20)
To be Published
3LIT
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BU of 3lit by Molmil
The crystal structure of htlv protease complexed with the inhibitor KNI-10681
Descriptor: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide, Protease
Authors:Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
Deposit date:2010-01-25
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3JWP
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BU of 3jwp by Molmil
Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, TRIETHYLENE GLYCOL, Transcriptional regulatory protein sir2 homologue, ...
Authors:Wernimont, A.K, Hutchinson, A, Lin, Y.H, MacKenzie, F, Senisterra, G, Allali-Hassanali, A, Vedadi, M, Ravichandran, M, Cossar, D, Kozieradzki, I, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC)
Deposit date:2009-09-18
Release date:2009-10-20
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP
TO BE PUBLISHED
3MSE
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BU of 3mse by Molmil
Crystal structure of C-terminal domain of PF110239.
Descriptor: CALCIUM ION, Calcium-dependent protein kinase, putative, ...
Authors:Wernimont, A.K, Artz, J.D, Hutchinson, A, Sullivan, H, Weadge, J, Tempel, W, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Lin, Y.H, Neculai, A.M, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2010-04-29
Release date:2010-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of C-terminal domain of PF110239
To be Published
7RBQ
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BU of 7rbq by Molmil
Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
Descriptor: 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ...
Authors:Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-07-06
Release date:2021-08-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
To Be Published
3K21
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BU of 3k21 by Molmil
Crystal Structure of carboxy-terminus of PFC0420w.
Descriptor: ACETATE ION, CALCIUM ION, Calcium-dependent protein kinase 3, ...
Authors:Wernimont, A.K, Hutchinson, A, Artz, J.D, Mackenzie, F, Cossar, D, Kozieradzki, I, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2009-09-29
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structures of parasitic CDPK domains point to a common mechanism of activation.
Proteins, 79, 2011
7RUO
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BU of 7ruo by Molmil
Crystal structure of human UTP15
Descriptor: U3 small nucleolar RNA-associated protein 15 homolog, UNKNOWN ATOM OR ION
Authors:Dehghani-Tafti, S, Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-08-17
Release date:2021-11-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human UTP15
To Be Published
3KHE
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BU of 3khe by Molmil
Crystal structure of the calcium-loaded calmodulin-like domain of the CDPK, 541.m00134 from toxoplasma gondii
Descriptor: CALCIUM ION, Calmodulin-like domain protein kinase isoform 3, GLYCEROL, ...
Authors:Wernimont, A.K, Hutchinson, A, Artz, J.D, Mackenzie, F, Cossar, D, Kozieradzki, I, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2009-10-30
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of parasitic CDPK domains point to a common mechanism of activation.
Proteins, 79, 2011
5U4X
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BU of 5u4x by Molmil
Coactivator-associated arginine methyltransferase 1 with TP-064
Descriptor: Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-12-06
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma.
Oncotarget, 9, 2018
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
4RLD
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BU of 4rld by Molmil
Crystal structure of kkf mutant of bla G 2 protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aspartic protease Bla g 2, ZINC ION
Authors:Li, M, Gustchina, A, Pomes, A, Wlodawer, A.
Deposit date:2014-10-16
Release date:2015-10-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:to be determined
To be Published

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