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2AWP
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BU of 2awp by Molmil
Crystal structure of Plasmodium knowlesi structure of Iron Super-Oxide Dismutase
分子名称: CHLORIDE ION, Iron Super-Oxide Dismutase, UNKNOWN ATOM OR ION
著者Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2005-09-01
公開日2005-09-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
2AYV
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Crystal structure of a putative ubiquitin-conjugating enzyme E2 from Toxoplasma gondii
分子名称: UNKNOWN ATOM OR ION, ubiquitin-conjugating enzyme E2
著者Tempel, W, Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Kozieradzki, I, Vedadi, M, Arrowsmith, C, Sundstrom, M, Weigelt, J, Edwards, A, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2005-09-08
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
2A22
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Structure of Vacuolar Protein Sorting 29 from Cryptosporidium Parvum
分子名称: vacuolar protein sorting 29
著者Brokx, S, Zhao, Y, Alam, Z, Lew, J, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2005-06-21
公開日2005-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
4AYW
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STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (PLATE FORM)
分子名称: ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ...
著者Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P.
登録日2012-06-22
公開日2012-07-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
6HMP
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Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azoimidazole-based Inhibitor (compound 3)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, PHOSPHATE ION
著者Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U.
登録日2018-09-12
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
6HMR
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Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 2)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, MALONIC ACID
著者Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U.
登録日2018-09-12
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
4AYX
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STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (ROD FORM B)
分子名称: ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CARDIOLIPIN, DODECYL-BETA-D-MALTOSIDE, ...
著者Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P.
登録日2012-06-22
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
4AYT
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STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10
分子名称: ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10 MITOCHONDRIAL, CARDIOLIPIN, DODECYL-BETA-D-MALTOSIDE, ...
著者Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P.
登録日2012-06-22
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
4QU2
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BU of 4qu2 by Molmil
The structure of JMJD7 with alpha-KG
分子名称: 2-OXOGLUTARIC ACID, JmjC domain-containing protein 7, NICKEL (II) ION
著者Liu, H.L, Wang, C, Zhang, G.Y.
登録日2014-07-10
公開日2015-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structure of JMJD7 with alpha-KG
To be Published
2WEI
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BU of 2wei by Molmil
Crystal structure of the kinase domain of Cryptosporidium parvum calcium dependent protein kinase in complex with 3-MB-PP1
分子名称: 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE
著者Roos, A.K, King, O, Chaikuad, A, Zhang, C, Shokat, K.M, Wernimont, A.K, Artz, J.D, Lin, L, MacKenzie, F.I, Finerty, P.J, Vedadi, M, Schapira, M, Indarte, M, Kozieradzki, I, Pike, A.C.W, Fedorov, O, Doyle, D, Muniz, J, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Heightman, T, Hui, R.
登録日2009-03-31
公開日2009-04-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Cryptosporidium Parvum Kinome.
Bmc Genomics, 12, 2011
6EPN
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Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F2
分子名称: 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6HWU
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Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
8PXU
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Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
分子名称: Beta-N-acetylhexosaminidase, CACODYLATE ION
著者Jensen, M, Abou Hachem, M, Morth, J.P.
登録日2023-07-24
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8PVS
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BU of 8pvs by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
分子名称: 1,2-ETHANEDIOL, Alpha-1,3-galactosidase B, CALCIUM ION, ...
著者Jensen, M, Abou Hachem, M, Morth, J.P.
登録日2023-07-18
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8PXT
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Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
著者Jensen, M, Abou Hachem, M, Morth, J.P.
登録日2023-07-24
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
6HWT
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Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
6EPM
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BU of 6epm by Molmil
Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F1
分子名称: (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine, GLYCEROL, GTPase KRas, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6EPP
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RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F4
分子名称: GLYCEROL, GTPase KRas, Son of sevenless homolog 1, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6HWV
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Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
6EPO
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RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3
分子名称: 3-(4-chlorophenyl)propan-1-amine, GLYCEROL, GTPase KRas, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5WHR
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Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate.
分子名称: (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A.
登録日2017-07-18
公開日2017-12-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.
J. Med. Chem., 60, 2017
2B0R
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Crystal Structure of Cyclase-Associated Protein from Cryptosporidium parvum
分子名称: UNKNOWN ATOM OR ION, possible adenyl cyclase-associated protein
著者Tempel, W, Dong, A, Zhao, Y, Lew, J, Kozieradzki, I, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Hui, R, Bochkarev, A, Artz, J, Structural Genomics Consortium (SGC)
登録日2005-09-14
公開日2005-09-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and function of a G-actin sequestering protein with a vital role in malaria oocyst development inside the mosquito vector
J.Biol.Chem., 151, 2010
6EIE
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Ras guanine nucleotide exchange factor SOS2 (Rem-cdc25), with surface mutations
分子名称: Son of sevenless homolog 2
著者Hillig, R.C, Moosmayer, D, Mastouri, J.
登録日2017-09-19
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6EPL
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Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C)
分子名称: GLYCEROL, GTPase KRas, Son of sevenless homolog 1
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2PZ9
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Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor
分子名称: Putative regulatory protein, SULFATE ION
著者Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2007-05-17
公開日2007-06-19
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献In situ proteolysis for protein crystallization and structure determination.
Nat.Methods, 4, 2007

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