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6O39
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Crystal structure of Frizzled 5 CRD in complex with F2.I Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P.
登録日2019-02-26
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4WXX
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BU of 4wxx by Molmil
The crystal structure of human DNMT1(351-1600)
分子名称: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Zhang, Z.M, Song, J.
登録日2014-11-14
公開日2015-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.622 Å)
主引用文献Crystal Structure of Human DNA Methyltransferase 1.
J.Mol.Biol., 427, 2015
3UA8
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BU of 3ua8 by Molmil
Crystal Structure Analysis of a 6-Amino Quinazolinedione Sulfonamide bound to human GluR2
分子名称: Glutamate receptor 2, N-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1H-imidazole-4-carboxamide
著者Kallen, J.
登録日2011-10-21
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献6-Amino quinazolinedione sulfonamides as orally active competitive AMPA receptor antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
6X9L
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BU of 6x9l by Molmil
Crystal Structure of Aldehyde Dehydrogenase C (AldC) mutant (C291A) from Pseudomonas syringae in complexed with NAD+ and Octanal
分子名称: Aldehyde dehydrogenase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OCTANAL
著者Lee, S.G, Jez, J.M.
登録日2020-06-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The plant pathogen enzyme AldC is a long-chain aliphatic aldehyde dehydrogenase.
J.Biol.Chem., 295, 2020
8B35
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BU of 8b35 by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA and naringenin
分子名称: COENZYME A, Chalcone synthase 2, NARINGENIN
著者Zhang, L, Groves, M.R.
登録日2022-09-15
公開日2023-09-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
8B32
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BU of 8b32 by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA
分子名称: COENZYME A, Chalcone synthase 2
著者Zhang, L, Groves, M.R.
登録日2022-09-15
公開日2023-09-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
8B3C
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BU of 8b3c by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol
分子名称: (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2
著者Zhang, L, Groves, M.R.
登録日2022-09-16
公開日2023-09-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
8BBH
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BU of 8bbh by Molmil
The crystal structure of a mouse Fab fragment TL1 in complex with a human Glucose-6-phosphate isomerase peptide 293-307
分子名称: Glucose-6-phosphate isomerase, Heavy Chain of TL1 Fab fragment, Light Chain of TL1 Fab fragment
著者Ge, C, Holmdahl, R, Li, T.
登録日2022-10-13
公開日2022-12-21
最終更新日2023-07-05
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献Pathogenic antibody response to glucose-6-phosphate isomerase targets a modified epitope uniquely exposed on joint cartilage.
Ann Rheum Dis, 82, 2023
4FQ7
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BU of 4fq7 by Molmil
Crystal structure of the maleate isomerase Iso from Pseudomonas putida S16
分子名称: Maleate cis-trans isomerase
著者Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P.
登録日2012-06-25
公開日2013-07-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
4FQ5
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BU of 4fq5 by Molmil
Crystal structure of the maleate isomerase Iso(C200A) from Pseudomonas putida S16 with maleate
分子名称: MALEIC ACID, Maleate cis-trans isomerase
著者Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P.
登録日2012-06-25
公開日2013-07-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
6CYM
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BU of 6cym by Molmil
Reversible Covalent Direct Thrombin Inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxybenzoic acid, Prothrombin, ...
著者Sivaraja, M, Williams, D.C.
登録日2018-04-06
公開日2018-05-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Reversible covalent direct thrombin inhibitors.
PLoS ONE, 13, 2018
1QWT
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BU of 1qwt by Molmil
Auto-inhibitory interferon regulation factor-3 (IRF3) transactivation domain
分子名称: Interferon regulatory factor 3, PHOSPHATE ION
著者Qin, B.Y.
登録日2003-09-03
公開日2003-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of IRF-3 reveals mechanism of autoinhibition and virus induced phospho-activation
Nat.Struct.Biol., 10, 2003
3RL8
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BU of 3rl8 by Molmil
Crystal structure of hDLG1-PDZ2 complexed with APC
分子名称: 11-mer peptide from Adenomatous polyposis coli protein, Disks large homolog 1
著者Zhang, Z, Li, H, Wu, G.
登録日2011-04-19
公開日2011-12-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis for the recognition of adenomatous polyposis coli by the Discs Large 1 protein.
Plos One, 6, 2011
3RL7
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BU of 3rl7 by Molmil
Crystal structure of hDLG1-PDZ1 complexed with APC
分子名称: 11-mer peptide from Adenomatous polyposis coli protein, Disks large homolog 1
著者Zhang, Z, Li, H, Wu, G.
登録日2011-04-19
公開日2011-12-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for the recognition of adenomatous polyposis coli by the Discs Large 1 protein.
Plos One, 6, 2011
4TN2
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BU of 4tn2 by Molmil
NS5b in complex with lactam-thiophene carboxylic acids
分子名称: 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid, Genome polyprotein
著者Chopra, R.
登録日2014-06-02
公開日2014-09-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
5TBN
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BU of 5tbn by Molmil
Solution NMR structure of PHF20 PHD domain in complex with a histone H3K4me2 peptide
分子名称: Histone H3.1, PHD finger protein 20, ZINC ION
著者Cui, G, Botuyan, M.V, Mer, G.
登録日2016-09-12
公開日2016-10-12
最終更新日2019-12-04
実験手法SOLUTION NMR
主引用文献PHF20 Readers Link Methylation of Histone H3K4 and p53 with H4K16 Acetylation.
Cell Rep, 17, 2016
5TAB
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BU of 5tab by Molmil
Crystal Structure of the PHD Finger of PHF20
分子名称: GLYCEROL, PHD finger protein 20, ZINC ION
著者Klein, B.J, Kutateladze, T.G.
登録日2016-09-09
公開日2016-10-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献PHF20 Readers Link Methylation of Histone H3K4 and p53 with H4K16 Acetylation.
Cell Rep, 17, 2016
1TIP
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BU of 1tip by Molmil
THE BISPHOSPHATASE DOMAIN OF THE BIFUNCTIONAL RAT LIVER 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE
分子名称: 6-O-phosphono-beta-D-fructofuranose, PHOSPHOENZYME INTERMEDIATE OF FRU-2,6-BISPHOSPHATASE
著者Lee, Y.-H, Olson, T.W, Ogata, C.M, Levitt, D.G, Banaszak, L.J, Lange, A.J.
登録日1997-05-28
公開日1998-01-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a trapped phosphoenzyme during a catalytic reaction.
Nat.Struct.Biol., 4, 1997
2P59
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BU of 2p59 by Molmil
Crystal Structure of Hepatitis C Virus NS3.4A protease
分子名称: (2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, NS3, peptide
著者Perni, R.B, Wei, Y.
登録日2007-03-14
公開日2008-02-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics.
Bioorg.Med.Chem.Lett., 17, 2007
6ZW8
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BU of 6zw8 by Molmil
Isopenicillin N synthase in complex with Cd and ACV.
分子名称: CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-07-27
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6S4A
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BU of 6s4a by Molmil
Structure of human MTHFD2 in complex with TH9028
分子名称: (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
著者Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6S4F
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Structure of human MTHFD2 in complex with TH9619
分子名称: (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
著者Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6S4E
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BU of 6s4e by Molmil
Structure of human MTHFD2 in complex with TH7299
分子名称: (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
著者Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
1FBT
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BU of 1fbt by Molmil
THE BISPHOSPHATASE DOMAIN OF THE BIFUNCTIONAL RAT LIVER 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE
分子名称: FRUCTOSE-2,6-BISPHOSPHATASE, PHOSPHATE ION
著者Lee, Y.-H, Ogata, C, Pflugrath, J.W, Levitt, D.G, Sarma, R, Banaszak, L.J, Pilkis, S.J.
登録日1996-03-08
公開日1997-07-23
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the rat liver fructose-2,6-bisphosphatase based on selenomethionine multiwavelength anomalous dispersion phases.
Biochemistry, 35, 1996
6MHR
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BU of 6mhr by Molmil
Structure of the human 4-1BB / Urelumab Fab complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ...
著者Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
登録日2018-09-18
公開日2018-11-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018

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