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6KEM
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BU of 6kem by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form 2
Descriptor: Glutathione S-transferase E14
Authors:Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
Deposit date:2019-07-04
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KEL
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BU of 6kel by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutathione S-transferase E14
Authors:Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Senda, T, Niwa, R.
Deposit date:2019-07-04
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KEQ
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BU of 6keq by Molmil
Crystal structure of D113A mutant of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form
Descriptor: Glutathione S-transferase E14
Authors:Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
Deposit date:2019-07-04
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KEN
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BU of 6ken by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in glutathione-bound form
Descriptor: GLUTATHIONE, Glutathione S-transferase E14
Authors:Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
Deposit date:2019-07-04
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KER
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BU of 6ker by Molmil
Crystal structure of D113A mutant of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in glutathione-bound form
Descriptor: GLUTATHIONE, Glutathione S-transferase E14
Authors:Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
Deposit date:2019-07-04
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
5WQK
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BU of 5wqk by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one, SODIUM ION, Sulfurtransferase
Authors:Suwanai, Y, Toma-Fukai, S, Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
8II1
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BU of 8ii1 by Molmil
Crystal structure of V30M-TTR in complex with BID
Descriptor: Benziodarone, Transthyretin
Authors:Yokoyama, T.
Deposit date:2023-02-24
Release date:2023-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
8II3
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BU of 8ii3 by Molmil
Crystal structure of V30M-TTR in complex with 6-hydroxy BID
Descriptor: Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
Authors:Yokoyama, T.
Deposit date:2023-02-24
Release date:2023-06-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
8II4
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BU of 8ii4 by Molmil
Crystal structure of V30M-TTR in complex with 6-hydroxy BBM
Descriptor: Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
Authors:Yokoyama, T.
Deposit date:2023-02-24
Release date:2023-06-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
8II2
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BU of 8ii2 by Molmil
Crystal structure of V30M-TTR in complex with BBM
Descriptor: CALCIUM ION, Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
Authors:Yokoyama, T.
Deposit date:2023-02-24
Release date:2023-06-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
8IG1
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BU of 8ig1 by Molmil
Crystal structure of wild-type transthyretin in complex with rafoxanide
Descriptor: SODIUM ION, Transthyretin, ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide
Authors:Yokoyama, T.
Deposit date:2023-02-20
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Rafoxanide, a salicylanilide anthelmintic, interacts with human plasma protein transthyretin.
Febs J., 290, 2023
7YV1
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BU of 7yv1 by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ...
Authors:Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
7YUZ
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BU of 7yuz by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784
Descriptor: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ...
Authors:Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
5BRO
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BU of 5bro by Molmil
Crystal structure of modified HexB (modB)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ...
Authors:Kitakaze, K, Maita, N, Itoh, K.
Deposit date:2015-06-01
Release date:2016-05-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model.
J.Clin.Invest., 126, 2016
6C4D
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BU of 6c4d by Molmil
Structure based design of RIP1 kinase inhibitors
Descriptor: (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
Authors:Saikatendu, K.S, Yoshikawa, M.
Deposit date:2018-01-11
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
6C3E
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BU of 6c3e by Molmil
CRYSTAL STRUCTURE OF RIP1 KINASE BOUND TO INHIBITOR
Descriptor: 2-benzyl-5-nitro-1H-benzimidazole, Receptor-interacting serine/threonine-protein kinase 1
Authors:Saikatendu, K.S, Yoshikawa, M.
Deposit date:2018-01-09
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
6VL6
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BU of 6vl6 by Molmil
De novo designed tetrahedral nanoparticle T33_dn2 presenting BG505 SOSIP trimers
Descriptor: T33_dn2A, T33_dn2B
Authors:Ward, A.B, Antanasijevic, A.
Deposit date:2020-01-22
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
6VKN
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BU of 6vkn by Molmil
BG505 SOSIP.v5.2.N241.N289 in complex with rhesus macaque Fab RM19R
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cottrell, C.A, Ward, A.B.
Deposit date:2020-01-21
Release date:2020-08-12
Last modified:2020-09-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
6FWF
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BU of 6fwf by Molmil
Low resolution structure of Neisseria meningitidis qNOR
Descriptor: CALCIUM ION, FE (III) ION, Nitric-oxide reductase, ...
Authors:Young, D, Antonyuk, S, Tosha, T, Hisano, T, Hasnain, S, Shiro, Y.
Deposit date:2018-03-06
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Characterization of the quinol-dependent nitric oxide reductase from the pathogen Neisseria meningitidis, an electrogenic enzyme.
Sci Rep, 8, 2018
6VL5
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BU of 6vl5 by Molmil
BG505 SOSIP reconstructed from a designed tetrahedral nanoparticle, BG505 SOSIP-T33_dn2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2(7S) - gp120, ...
Authors:Ward, A.B, Antanasijevic, A.
Deposit date:2020-01-22
Release date:2020-08-12
Last modified:2020-09-02
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
6YTU
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BU of 6ytu by Molmil
Atomic-resolution structure of the coiled-coil dimerisation domain of human Arc
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Activity-regulated cytoskeleton-associated protein, CHLORIDE ION
Authors:Hallin, E.I, Touma, C, Bramham, C.R, Kursula, P.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Arc self-association and formation of virus-like capsids are mediated by an N-terminal helical coil motif.
Febs J., 288, 2021
1RDV
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BU of 1rdv by Molmil
RUBREDOXIN FROM DESULFOVIBRIO VULGARIS MIYAZAKI F, TRIGONAL CRYSTAL FORM
Descriptor: FE (III) ION, RUBREDOXIN
Authors:Higuchi, Y, Yasuoka, N.
Deposit date:1998-09-30
Release date:1999-05-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure determination of rubredoxin from Desulfovibrio vulgaris Miyazaki F in two crystal forms.
Acta Crystallogr.,Sect.D, 55, 1999
6A9E
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BU of 6a9e by Molmil
Crystal structure of the N-terminal domain of Atg2
Descriptor: Endolysin,Autophagy-related protein 2
Authors:Osawa, T, Noda, N.N.
Deposit date:2018-07-13
Release date:2019-03-20
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (3.205 Å)
Cite:Atg2 mediates direct lipid transfer between membranes for autophagosome formation.
Nat. Struct. Mol. Biol., 26, 2019
6A9J
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BU of 6a9j by Molmil
Crystal structure of the PE-bound N-terminal domain of Atg2
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Endolysin,Autophagy-related protein 2
Authors:Osawa, T, Noda, N.N.
Deposit date:2018-07-13
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Atg2 mediates direct lipid transfer between membranes for autophagosome formation.
Nat. Struct. Mol. Biol., 26, 2019
6LK4
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BU of 6lk4 by Molmil
Crystal structure of GMP reductase from Trypanosoma brucei in complex with guanosine 5'-triphosphate
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Guanosine 5'-monophosphate Reductase, PHOSPHATE ION
Authors:Mase, H, Otani, T, Imamura, A, Nishimura, S, Inui, T.
Deposit date:2019-12-18
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020

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数据于2024-08-14公开中

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