3PFN
 
 | | Crystal Structure of human NAD kinase | | Descriptor: | NAD kinase, UNKNOWN ATOM OR ION | | Authors: | Wang, H, Tempel, W, Wernimont, A.K, Tong, Y, Guan, X, Shen, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-10-28 | | Release date: | 2010-11-10 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of human NAD kinase
to be published
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3IUG
 | | Crystal structure of the RhoGAP domain of RICS | | Descriptor: | Rho/Cdc42/Rac GTPase-activating protein RICS, UNKNOWN ATOM OR ION | | Authors: | Nedyalkova, L, Tempel, W, Tong, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-31 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of the RhoGAP domain of RICS
to be published
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1T0F
 | | Crystal Structure of the TnsA/TnsC(504-555) complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, MALONIC ACID, ... | | Authors: | Ronning, D.R, Li, Y, Perez, Z.N, Ross, P.D, Hickman, A.B, Craig, N.L, Dyda, F. | | Deposit date: | 2004-04-08 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The carboxy-terminal portion of TnsC activates the Tn7 transposase through a specific interaction with TnsA.
Embo J., 23, 2004
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4I52
 | | scMenB im complex with 1-hydroxy-2-naphthoyl-CoA | | Descriptor: | 1-hydroxy-2-naphthoyl-CoA, CHLORIDE ION, Naphthoate synthase | | Authors: | Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H. | | Deposit date: | 2012-11-28 | | Release date: | 2013-05-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily
Plos One, 8, 2013
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4I4Z
 | | Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase (MenB) in complex with salicylyl-CoA | | Descriptor: | BICARBONATE ION, MALONATE ION, Naphthoate synthase, ... | | Authors: | Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H. | | Deposit date: | 2012-11-28 | | Release date: | 2013-05-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily
Plos One, 8, 2013
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8SHJ
 | | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | | Authors: | 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) | | Deposit date: | 2023-04-14 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | 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
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8F8E
 | | 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
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8T55
 | | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | | Authors: | 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) | | Deposit date: | 2023-06-12 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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
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3MXZ
 | | Crystal Structure of tubulin folding cofactor A from Arabidopsis thaliana | | Descriptor: | NITRATE ION, Tubulin-specific chaperone A | | Authors: | Lu, L, Nan, J, Mi, W, Su, X.D, Li, Y. | | Deposit date: | 2010-05-08 | | Release date: | 2010-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Crystal structure of tubulin folding cofactor A from Arabidopsis thaliana and its beta-tubulin binding characterization
Febs Lett., 584, 2010
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1N3B
 | | Crystal Structure of Dephosphocoenzyme A kinase from Escherichia coli | | Descriptor: | Dephospho-CoA kinase, SULFATE ION | | Authors: | O'Toole, N, Barbosa, J.A.R.G, Li, Y, Hung, L.-W, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2002-10-25 | | Release date: | 2003-01-28 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of a Trimeric Form of Dephosphocoenzyme A Kinase from Escherichia coli
Protein Sci., 12, 2003
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7JUO
 | | CBP bromodomain complexed with YF2-23 | | Descriptor: | CREB-binding protein, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | | Authors: | Ratia, K.M, Xiong, R, Principe, D, Li, Y, Huang, F, Rana, A, Thatcher, G. | | Deposit date: | 2020-08-20 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | XP-524 is a dual-BET/EP300 inhibitor that represses oncogenic KRAS and potentiates immune checkpoint inhibition in pancreatic cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4YWQ
 | | Crystal structure of the ROQ domain of human Roquin-1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Dong, A, Zhang, Q, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-20 | | Release date: | 2015-04-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the ROQ domain of human Roquin-1
To be Published
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8W6N
 | | NaS1 with sulfate in IN/OUT state | | Descriptor: | SODIUM ION, SULFATE ION, Solute carrier family 13 member 1 | | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | | Deposit date: | 2023-08-29 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
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3JZY
 | | Crystal structure of human Intersectin 2 C2 domain | | Descriptor: | Intersectin 2, UNKNOWN ATOM OR ION | | Authors: | Shen, Y, Tempel, W, Tong, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-24 | | Release date: | 2009-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of human Intersectin 2 C2 domain
To be Published
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8W6D
 | | CryoEM structure of NaDC1 in apo state | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | | Deposit date: | 2023-08-28 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
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6I6M
 | | Papaver somniferum O-methyltransferase 1 | | Descriptor: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P. | | Deposit date: | 2018-11-15 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
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6I6K
 | | Papaver somniferum O-methyltransferase 1 | | Descriptor: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P. | | Deposit date: | 2018-11-15 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
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6I5Q
 | | Papaver somniferum O-methyltransferase 1 | | Descriptor: | O-methyltransferase 1 | | Authors: | Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P. | | Deposit date: | 2018-11-14 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
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6I6L
 | | Papaver somniferum O-methyltransferase 1 | | Descriptor: | O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, Tetrahydrocolumbamine | | Authors: | Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P. | | Deposit date: | 2018-11-15 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
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3F62
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6I6N
 | | Papaver somniferum O-methyltransferase 1 | | Descriptor: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P. | | Deposit date: | 2018-11-15 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
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8W6O
 | | NaS1 in IN/IN state | | Descriptor: | CHOLESTEROL, SODIUM ION, Solute carrier family 13 member 1 | | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | | Deposit date: | 2023-08-29 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
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8W6G
 | | NaDC1 with inhibitor ACA | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | | Deposit date: | 2023-08-28 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
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8W6T
 | | NaS1 in IN/OUT state | | Descriptor: | Solute carrier family 13 member 1 | | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | | Deposit date: | 2023-08-29 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
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8W6H
 | | NaS1 with sulfate - IN/IN state | | Descriptor: | CHOLESTEROL, SODIUM ION, SULFATE ION, ... | | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | | Deposit date: | 2023-08-28 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
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