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PDB: 216 results

6KG2
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BU of 6kg2 by Molmil
Human MTHFD2 in complex with Compound 18
Descriptor: Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ...
Authors:Suzuki, M, Matsui, Y, Ota, M, Kawai, J.
Deposit date:2019-07-10
Release date:2019-11-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
J.Med.Chem., 62, 2019
1UIZ
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BU of 1uiz by Molmil
Crystal Structure Of Macrophage Migration Inhibitory Factor From Xenopus Laevis.
Descriptor: Macrophage Migration Inhibitory Factor
Authors:Suzuki, M, Takamura, Y, Maeno, M, Tochinai, S, Iyaguchi, D, Tanaka, I, Nishihira, J, Ishibashi, T.
Deposit date:2003-07-24
Release date:2004-05-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Xenopus laevis Macrophage Migration Inhibitory Factor Is Essential for Axis Formation and Neural Development.
J.Biol.Chem., 279, 2004
1V3X
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Factor Xa in complex with the inhibitor 1-[6-methyl-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2-carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine
Descriptor: (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X, ...
Authors:Suzuki, M.
Deposit date:2003-11-07
Release date:2004-11-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element
J.Med.Chem., 47, 2004
6IEZ
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BU of 6iez by Molmil
Crystal structure of CERT START domain in complex with compound B16
Descriptor: 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-09-18
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6J81
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BU of 6j81 by Molmil
Crystal structure of CERT START domain in complex with compound E14
Descriptor: 2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2019-01-18
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6J0O
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BU of 6j0o by Molmil
Crystal structure of CERT START domain in complex with compound SC1
Descriptor: 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT, UNKNOWN ATOM OR ION
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-12-25
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6JIB
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BU of 6jib by Molmil
Human MTHFD2 in complex with DS44960156
Descriptor: 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
Authors:Suzuki, M, Matsui, Y, Kawai, J.
Deposit date:2019-02-20
Release date:2019-06-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
6JID
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BU of 6jid by Molmil
Human MTHFD2 in complex with Compound 1
Descriptor: 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
Authors:Suzuki, M, Matsui, Y, Matsuhashi, N, Kawai, J.
Deposit date:2019-02-20
Release date:2019-06-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
6K0T
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BU of 6k0t by Molmil
Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-17
Descriptor: 3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Suzuki, M, Yamamoto, K, Takahashi, Y, Saito, J.
Deposit date:2019-05-07
Release date:2019-10-30
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Development of a novel class of peroxisome proliferator-activated receptor (PPAR) gamma ligands as an anticancer agent with a unique binding mode based on a non-thiazolidinedione scaffold.
Bioorg.Med.Chem., 27, 2019
6IF0
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BU of 6if0 by Molmil
Crystal structure of CERT START domain in complex with compound D16
Descriptor: 2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-09-18
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6KTK
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BU of 6ktk by Molmil
Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NADH and L-glucono-1,5-lactone, from Paracoccus laeviglucosivorans
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-glucono-1,5-lactone, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity, ...
Authors:Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S.
Deposit date:2019-08-28
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans.
Biosci.Biotechnol.Biochem., 84, 2020
6KTL
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BU of 6ktl by Molmil
Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NAD and myo-inositol, from Paracoccus laeviglucosivorans
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S.
Deposit date:2019-08-28
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans.
Biosci.Biotechnol.Biochem., 84, 2020
6KTJ
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BU of 6ktj by Molmil
Crystal structure of scyllo-inositol dehydrogenase R178A mutant, apo-form, from Paracoccus laeviglucosivorans
Descriptor: ACETATE ION, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity
Authors:Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S.
Deposit date:2019-08-28
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans.
Biosci.Biotechnol.Biochem., 84, 2020
5ZYL
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BU of 5zyl by Molmil
Crystal structure of CERT START domain in complex with compound E25A
Descriptor: 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYI
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BU of 5zyi by Molmil
Crystal structure of CERT START domain in complex with compound E16
Descriptor: 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYJ
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BU of 5zyj by Molmil
Crystal structure of CERT START domain in complex with compound E16A
Descriptor: 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYH
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BU of 5zyh by Molmil
Crystal structure of CERT START domain in complex with compound E5
Descriptor: 2-[4-[3-~{tert}-butyl-5-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYK
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BU of 5zyk by Molmil
Crystal structure of CERT START domain in complex with compound E25
Descriptor: 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYG
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BU of 5zyg by Molmil
Crystal structure of CERT START domain in complex with compound B5
Descriptor: 2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYM
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BU of 5zym by Molmil
Crystal structure of CERT START domain in complex with compound E25B
Descriptor: 2-[4-[4-cyclopentyl-3-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
7DCF
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BU of 7dcf by Molmil
Crystal structure of EHMT2 SET domain in complex with compound 10
Descriptor: 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Suzuki, M, Katayama, K.
Deposit date:2020-10-26
Release date:2021-02-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of DS79932728: A Potent, Orally Available G9a/GLP Inhibitor for Treating beta-Thalassemia and Sickle Cell Disease.
Acs Med.Chem.Lett., 12, 2021
6KKA
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BU of 6kka by Molmil
Xylanase J mutant from Bacillus sp. 41M-1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Suzuki, M, Takita, T, Nakatani, K.
Deposit date:2019-07-24
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Increase in the thermostability of GH11 xylanase XynJ from Bacillus sp. strain 41M-1 using site saturation mutagenesis.
Enzyme.Microb.Technol., 130, 2019
7C6A
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BU of 7c6a by Molmil
Crystal structure of AT2R-BRIL and SRP2070_Fab complex
Descriptor: IgG Light Chain, IgG heavy chain, SAR1, ...
Authors:Suzuki, M, Miyagi, H, Asada, H, Yasunaga, M, Suno, C, Takahashi, Y, Saito, J, Iwata, S.
Deposit date:2020-05-21
Release date:2020-07-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The discovery of a new antibody for BRIL-fused GPCR structure determination.
Sci Rep, 10, 2020
7C61
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BU of 7c61 by Molmil
Crystal structure of 5-HT1B-BRIL and SRP2070_Fab complex
Descriptor: 5-hydroxytryptamine receptor 1B,Soluble cytochrome b562,5-hydroxytryptamine receptor 1B, Ergotamine, IGG HEAVY CHAIN, ...
Authors:Suzuki, M, Miyagi, H, Asada, H, Yasunaga, M, Suno, C, Takahashi, Y, Saito, J, Iwata, S.
Deposit date:2020-05-21
Release date:2020-07-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:The discovery of a new antibody for BRIL-fused GPCR structure determination.
Sci Rep, 10, 2020
7D7U
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BU of 7d7u by Molmil
Crystal structure of Ago2 MID domain in complex with 8-Br-adenosin-5'-monophosphate
Descriptor: 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, Protein argonaute-2
Authors:Suzuki, M, Takahashi, Y, Saito, J, Miyagi, H, Shinohara, F.
Deposit date:2020-10-06
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:siRNA potency enhancement via chemical modifications of nucleotide bases at the 5'-end of the siRNA guide strand.
Rna, 27, 2021

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