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8WOV
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BU of 8wov by Molmil
Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, G233A mutant
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE
Authors:Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S.
Deposit date:2023-10-07
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis.
Plant J., 2024
8WOP
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BU of 8wop by Molmil
Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, wild-type
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE
Authors:Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S.
Deposit date:2023-10-07
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis.
Plant J., 2024
7F9F
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BU of 7f9f by Molmil
Thrombocorticin
Descriptor: MAGNESIUM ION, Thrombocorticin
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y, Freymann, D.M.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.411 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7F9G
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BU of 7f9g by Molmil
Thrombocorticin in complex with Ca2+ and fucose
Descriptor: CALCIUM ION, Thrombocorticin, alpha-L-fucopyranose
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.331 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7F9J
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BU of 7f9j by Molmil
Thrombocorticin Q25K in complex with Ca2+
Descriptor: CALCIUM ION, Thrombocorticin Q25K mutant
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7F91
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BU of 7f91 by Molmil
SeMet derivative of Thrombocorticin
Descriptor: Thrombocorticin
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-03
Release date:2022-07-06
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
7FBL
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BU of 7fbl by Molmil
Thrombocorticin in complex with Ca2+ and mannose
Descriptor: CALCIUM ION, Thrombocorticin, alpha-D-mannopyranose
Authors:Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y.
Deposit date:2021-07-11
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation.
Nat Commun, 13, 2022
8GZC
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BU of 8gzc by Molmil
Crystal structure of EP300 HAT domain in complex with compound 10
Descriptor: (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2022-09-26
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of DS-9300: A Highly Potent, Selective, and Once-Daily Oral EP300/CBP Histone Acetyltransferase Inhibitor.
J.Med.Chem., 66, 2023
8WD4
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BU of 8wd4 by Molmil
EGFR(L858R/T790/C797S) in complex with compound 5j
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, ~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide
Authors:Nishikawa, Y.
Deposit date:2023-09-14
Release date:2023-12-20
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Synthesis, activity, and their relationships of 2,4-diaminonicotinamide derivatives as EGFR inhibitors targeting C797S mutation.
Bioorg.Med.Chem.Lett., 98, 2023
7VHZ
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BU of 7vhz by Molmil
Crystal structure of EP300 HAT domain in complex with compound 7
Descriptor: (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2021-09-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
7VHY
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BU of 7vhy by Molmil
Crystal structure of EP300 HAT domain in complex with compound (+)-3
Descriptor: Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2021-09-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
7VI0
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BU of 7vi0 by Molmil
Crystal structure of EP300 HAT domain in complex with compound 11
Descriptor: (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2021-09-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
1C8N
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BU of 1c8n by Molmil
TOBACCO NECROSIS VIRUS
Descriptor: CALCIUM ION, COAT PROTEIN
Authors:Oda, Y, Fukuyama, K.
Deposit date:2000-05-20
Release date:2000-08-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of tobacco necrosis virus at 2.25 A resolution.
J.Mol.Biol., 300, 2000
7X73
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BU of 7x73 by Molmil
Structure of G9a in complex with RK-701
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Shirouzu, M, Umehara, T.
Deposit date:2022-03-09
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression.
Nat Commun, 14, 2023
7W6Z
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BU of 7w6z by Molmil
Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P21
Descriptor: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ZINC ION, Zinc metalloprotease
Authors:Imaizumi, Y, Takanuki, K, Nogi, T.
Deposit date:2021-12-02
Release date:2022-09-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W71
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BU of 7w71 by Molmil
Crystal structure of the PDZ-C domain of E. coli RseP in complex with 12C7 Fab
Descriptor: Heavy chain of Fab, Light chain of Fab, Regulator of sigma-E protease RseP
Authors:Hirose, T, Katagiri, S, Nogi, T.
Deposit date:2021-12-02
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
6JMQ
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BU of 6jmq by Molmil
LAT1-CD98hc complex bound to MEM-108 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ...
Authors:Lee, Y, Nishizawa, T, Kusakizako, T, Oda, K, Ishitani, R, Nakane, T, Nureki, O.
Deposit date:2019-03-13
Release date:2019-06-19
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Cryo-EM structure of the human L-type amino acid transporter 1 in complex with glycoprotein CD98hc.
Nat.Struct.Mol.Biol., 26, 2019
7W70
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BU of 7w70 by Molmil
Crystal structure of the PDZ-C domain fragment of Kangiella koreensis RseP orthologue
Descriptor: Zinc metalloprotease
Authors:Miyoshi, K, Nogi, T.
Deposit date:2021-12-02
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W6X
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BU of 7w6x by Molmil
Crystal structure of E. coli RseP in complex with batimastat
Descriptor: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Regulator of sigma-E protease RseP, ZINC ION
Authors:Takanuki, K, Imaizumi, Y, Nogi, T.
Deposit date:2021-12-02
Release date:2022-09-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W6Y
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BU of 7w6y by Molmil
Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P1
Descriptor: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Anti sigma-E protein, RseA, ...
Authors:Imaizumi, Y, Takanuki, K, Nogi, T.
Deposit date:2021-12-02
Release date:2022-09-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
5XOG
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BU of 5xog by Molmil
RNA Polymerase II elongation complex bound with Spt5 KOW5 and Elf1
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA (30-MER), DNA (39-MER), ...
Authors:Ehara, H, Shirouzu, M, Sekine, S.
Deposit date:2017-05-28
Release date:2017-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the complete elongation complex of RNA polymerase II with basal factors
Science, 357, 2017
5WVD
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BU of 5wvd by Molmil
Structure of Mnk1 in complex with DS12881479
Descriptor: 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide, MAP kinase interacting serine/threonine kinase 1, SULFATE ION
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2016-12-24
Release date:2018-01-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:A novel inhibitor stabilizes the inactive conformation of MAPK-interacting kinase 1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6AD9
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BU of 6ad9 by Molmil
Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9
Descriptor: 12-mer peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one, Peroxisome proliferator-activated receptor gamma
Authors:Takahashi, Y, Suzuki, M, Yamamoto, K, Saito, J.
Deposit date:2018-07-31
Release date:2018-11-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers.
J. Med. Chem., 61, 2018
6JLY
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BU of 6jly by Molmil
eIF2a - eIF2B complex
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, PHOSPHATE ION, Probable translation initiation factor eIF-2B subunit beta, ...
Authors:Kashiwagi, K, Ito, T.
Deposit date:2019-03-07
Release date:2019-05-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis for eIF2B inhibition in integrated stress response.
Science, 364, 2019
6K4J
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BU of 6k4j by Molmil
Crystal Structure of the the CD9
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CD9 antigen, NICKEL (II) ION, ...
Authors:Umeda, R, Nishizawa, T, Sato, K, Nureki, O.
Deposit date:2019-05-24
Release date:2020-05-13
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Structural insights into tetraspanin CD9 function.
Nat Commun, 11, 2020

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PDB entries from 2024-06-19

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