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4KBN
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BU of 4kbn by Molmil
human dihydrofolate reductase complexed with NADPH and 5-{3-[3-(3,5-pyrimidine)]-phenyl-prop-1-yn-1-yl}-6-ethyl-pyrimidine-2,4diamine
分子名称: 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, AMMONIUM ION, CHLORIDE ION, ...
著者Lamb, K.M, Anderson, A.C.
登録日2013-04-23
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase.
Biochemistry, 52, 2013
4KFJ
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BU of 4kfj by Molmil
Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(isoquin-5-yl)phenyl]prop-1-yn-1-yl}6-ethylprimidine-2,4-diamine
分子名称: 6-ethyl-5-{3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, CHLORIDE ION, Dihydrofolate reductase, ...
著者Lamb, K.M, Anderson, A.C.
登録日2013-04-26
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase.
Biochemistry, 52, 2013
4KD7
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BU of 4kd7 by Molmil
Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5(pyridine-4-yl)phenyl]prop-1-yn-1-yl}-6-ethyl-pyrimidine-2,4-diamine
分子名称: 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Lamb, K.M, Anderson, A.C.
登録日2013-04-24
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.715 Å)
主引用文献Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase.
Biochemistry, 52, 2013
8J6G
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BU of 8j6g by Molmil
Neutron structure of copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pD 9.0
分子名称: 2-PHENYLETHYLAMINE, COPPER (II) ION, Phenylethylamine oxidase, ...
著者Murakawa, T, Okajima, T.
登録日2023-04-25
公開日2023-09-20
最終更新日2024-11-13
実験手法NEUTRON DIFFRACTION (1.09 Å), X-RAY DIFFRACTION
主引用文献Neutron Crystallography of a Semiquinone Radical Intermediate of Copper Amine Oxidase Reveals a Substrate-Assisted Conformational Change of the Peptidyl Quinone Cofactor
Acs Catalysis, 2023
8EIH
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BU of 8eih by Molmil
Cryo-EM structure of human DNMT3B homo-tetramer (form I)
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EIK
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BU of 8eik by Molmil
Cryo-EM structure of human DNMT3B homo-hexamer
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EIJ
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BU of 8eij by Molmil
Cryo-EM structure of human DNMT3B homo-trimer
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EII
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BU of 8eii by Molmil
Cryo-EM structure of human DNMT3B homo-tetramer (form II)
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8F0V
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BU of 8f0v by Molmil
Lipocalin-like Milk protein-2 - E38A mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein, ZINC ION
著者Subramanian, R, KanagaVijayan, D.
登録日2022-11-04
公開日2023-08-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.951 Å)
主引用文献Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins.
Plos One, 18, 2023
8F0Y
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BU of 8f0y by Molmil
Lipocalin-like Milk protein-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein
著者Subramanian, R, KanagaVijayan, D, Shantakumar, R.P.S.
登録日2022-11-04
公開日2023-08-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins.
Plos One, 18, 2023
6OMF
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BU of 6omf by Molmil
CryoEM structure of SigmaS-transcription initiation complex with activator Crl
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Jaramillo Cartagena, A, Darst, S.A, Campbell, E.A.
登録日2019-04-18
公開日2019-08-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural basis for transcription activation by Crl through tethering of sigmaSand RNA polymerase.
Proc.Natl.Acad.Sci.USA, 116, 2019
2LU1
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BU of 2lu1 by Molmil
pfsub2 solution NMR structure
分子名称: Subtilase
著者He, Y, Chen, Y, Ruan, B, O'Brochta, D, Bryan, P, Orban, J.
登録日2012-06-06
公開日2012-10-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of a sheddase inhibitor prodomain from the malarial parasite Plasmodium falciparum.
Proteins, 80, 2012
7RRW
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BU of 7rrw by Molmil
Monomeric CRM197 expressed in E. coli
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Diphtheria toxin
著者Gallagher, D.T, Lees, A.
登録日2021-08-10
公開日2022-11-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Monomeric crystal structure of the vaccine carrier protein CRM 197 and implications for vaccine development.
Acta Crystallogr.,Sect.F, 79, 2023
9GK2
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BU of 9gk2 by Molmil
Surface-layer (S-layer) PS2 protein from Corynebacterium glutamicum
分子名称: PS2
著者Sogues, A, Remaut, H, Sleutel, M.
登録日2024-08-23
公開日2024-10-02
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM structure and polar assembly of the PS2 S-layer of Corynebacterium glutamicum.
Biorxiv, 2024
9KKH
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BU of 9kkh by Molmil
High resolution structure of Ferredoxin-NADP+ reductase from maize root - Reduced form, low X-ray dose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ...
著者Uenaka, M, Ohnishi, Y, Tanaka, H, Kurisu, G.
登録日2024-11-13
公開日2025-01-29
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Redox-dependent hydrogen-bond network rearrangement of ferredoxin-NADP + reductase revealed by high-resolution X-ray and neutron crystallography.
Acta Crystallogr.,Sect.F, 81, 2025
9KK7
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BU of 9kk7 by Molmil
Neutron structure of Ferredoxin-NADP+ reductase from maize root -Reduced form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ...
著者Uenaka, M, Ohnishi, Y, Tanaka, H, Kurisu, G.
登録日2024-11-13
公開日2025-01-29
最終更新日2025-03-12
実験手法NEUTRON DIFFRACTION (1.8 Å)
主引用文献Redox-dependent hydrogen-bond network rearrangement of ferredoxin-NADP + reductase revealed by high-resolution X-ray and neutron crystallography.
Acta Crystallogr.,Sect.F, 81, 2025
9KKC
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BU of 9kkc by Molmil
Neutron structure of Ferredoxin-NADP+ reductase from maize root -Oxidized form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ...
著者Uenaka, M, Ohnishi, Y, Tanaka, H, Kurisu, G.
登録日2024-11-13
公開日2025-01-29
最終更新日2025-03-12
実験手法NEUTRON DIFFRACTION (1.8 Å)
主引用文献Redox-dependent hydrogen-bond network rearrangement of ferredoxin-NADP + reductase revealed by high-resolution X-ray and neutron crystallography.
Acta Crystallogr.,Sect.F, 81, 2025
9KKG
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BU of 9kkg by Molmil
High resolution structure of Ferredoxin-NADP+ reductase from maize root - Oxidized form, low X-ray dose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ...
著者Uenaka, M, Ohnishi, Y, Tanaka, H, Kurisu, G.
登録日2024-11-13
公開日2025-01-29
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Redox-dependent hydrogen-bond network rearrangement of ferredoxin-NADP + reductase revealed by high-resolution X-ray and neutron crystallography.
Acta Crystallogr.,Sect.F, 81, 2025
7UBU
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BU of 7ubu by Molmil
Crystal structure of ZMET2 in complex with hemimethylated CAG DNA and a histone H3Kc9me2 peptide
分子名称: 5MC SSDNA, C49 SSDNA, DNA (cytosine-5)-methyltransferase 1, ...
著者Fang, J, Song, J.
登録日2022-03-15
公開日2022-06-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Mechanistic basis for maintenance of CHG DNA methylation in plants.
Nat Commun, 13, 2022
5UG7
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BU of 5ug7 by Molmil
Calcium bound Perforin C2 Domain - T431D
分子名称: CALCIUM ION, Perforin-1
著者Law, R.H.P, Conroy, P.J, Voskoboinik, I, Whisstock, J.C.
登録日2017-01-07
公開日2018-02-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Perforin proteostasis is regulated through its C2 domain: supra-physiological cell death mediated by T431D-perforin.
Cell Death Differ., 25, 2018
1X7I
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BU of 1x7i by Molmil
Crystal structure of the native copper homeostasis protein (cutCm) with calcium binding from Shigella flexneri 2a str. 301
分子名称: CALCIUM ION, Copper homeostasis protein cutC
著者Zhu, D.Y, Zhu, Y.Q, Huang, R.H, Xiang, Y, Wang, D.C.
登録日2004-08-14
公開日2005-03-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the copper homeostasis protein (CutCm) from Shigella flexneri at 1.7 A resolution: The first structure of a new sequence family of TIM barrels
Proteins, 58, 2004
7DWM
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BU of 7dwm by Molmil
Crystal structure of the phage VqmA-DPO complex
分子名称: 3,5-dimethylpyrazin-2-ol, Transcriptional regulator
著者Gu, Y, Yang, W.S.
登録日2021-01-17
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Understanding the mechanism of asymmetric gene regulation determined by the VqmA of vibriophage.
Biochem.Biophys.Res.Commun., 558, 2021
5EPQ
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BU of 5epq by Molmil
Structure at 1.75 A resolution of a glycosylated, lipid-binding, lipocalin-like protein
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Banerjee, S, Chavas, L.M.G, Ramaswamy, S.
登録日2015-11-12
公開日2015-12-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Structure of a heterogeneous, glycosylated, lipid-bound, in vivo-grown protein crystal at atomic resolution from the viviparous cockroach Diploptera punctata.
Iucrj, 3, 2016
5IST
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BU of 5ist by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
分子名称: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Anderson, A.C, Reeve, S.M.
登録日2016-03-15
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.723 Å)
主引用文献Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.
J. Med. Chem., 59, 2016
5ISP
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BU of 5isp by Molmil
Staphylococcus aureus F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
分子名称: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ...
著者Anderson, A.C, Reeve, S.M.
登録日2016-03-15
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.
J. Med. Chem., 59, 2016

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件を2025-07-09に公開中

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