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7RPI
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BU of 7rpi by Molmil
Cryo-EM structure of murine Dispatched 'T' conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ...
著者Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
登録日2021-08-03
公開日2021-10-27
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
8JQJ
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BU of 8jqj by Molmil
Crystal structure of carbonyl reductase SSCR mutant 1 from Sporobolomyces Salmonicolor
分子名称: Aldehyde reductase 2
著者Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M.
登録日2023-06-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
6Z33
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BU of 6z33 by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Ferric enterobactin receptor, ...
著者Naismith, J.H, Moynie, L.M.
登録日2020-05-19
公開日2020-07-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.711 Å)
主引用文献Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022
8EYW
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BU of 8eyw by Molmil
Beetroot dimer bound to ThT
分子名称: 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, POTASSIUM ION, RNA (49-MER)
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-10-28
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
7T0G
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BU of 7t0g by Molmil
Crystal structure of S25-39 Fab Unliganded 1
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S25-39 Fab heavy chain, S25-39 Fab light chain
著者Legg, M.S.G, Blackler, R.J, Evans, S.V.
登録日2021-11-29
公開日2022-04-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Antigen binding by conformational selection in near-germline antibodies.
J.Biol.Chem., 298, 2022
7Q8Z
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BU of 7q8z by Molmil
Crystal structure of TTBK2 in complex with VNG1.33 (compound 27)
分子名称: PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
著者Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-11-11
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
7Q90
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BU of 7q90 by Molmil
Crystal structure of TTBK2 in complex with VNG1.63 (compound 32)
分子名称: PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
著者Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-11-11
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
7Q8Y
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BU of 7q8y by Molmil
Crystal structure of TTBK2 in complex with VNG2.73 (compound 42)
分子名称: PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
著者Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-11-11
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
6WYB
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BU of 6wyb by Molmil
RTX (Reverse Transcription Xenopolymerase) in complex with an RNA/DNA hybrid
分子名称: 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA polymerase, ...
著者Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W.
登録日2020-05-12
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献How a B family DNA polymerase has been evolved to copy RNA.
Proc.Natl.Acad.Sci.USA, 117, 2020
7V8W
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BU of 7v8w by Molmil
Crystal structure of PsEst3 S128A variant complexed with malonate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, MALONIC ACID, ...
著者Son, J, Kim, H, Kim, H.W.
登録日2021-08-23
公開日2022-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and biochemical insights into PsEst3, a new GHSR-type esterase obtained from Paenibacillus sp. R4.
Iucrj, 10, 2023
6ZXV
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BU of 6zxv by Molmil
Structure of Archaeoglobus fulgidus Trm11 m2G10 tRNA methyltransferase enzyme bound to sinefungin
分子名称: 1,2-ETHANEDIOL, SINEFUNGIN, tRNA (Guanine(10)-N2)-dimethyltransferase
著者Graille, M, Wang, C.
登録日2020-07-30
公開日2020-09-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Functional and structural characterization of the Trm11-Trm112 m2G10 tRNA methyltransferase complex
Nucleic Acids Res., 2020
6OJ0
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BU of 6oj0 by Molmil
Cryo-EM reconstruction of Sulfolobus polyhedral virus 1 (SPV1)
分子名称: Structural protein VP4, Uncharacterized protein
著者Wang, F, Liu, Y, Conway, J.F, Krupovic, M, Prangishvili, D, Egelman, E.H.
登録日2019-04-10
公開日2019-10-02
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A packing for A-form DNA in an icosahedral virus.
Proc.Natl.Acad.Sci.USA, 116, 2019
7P3T
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BU of 7p3t by Molmil
Transaminase of gamma-proteobacterium
分子名称: Branched-chain amino acid aminotransferase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE
著者Ermler, U.
登録日2021-07-08
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rational engineering of Luminiphilus syltensis ( R )-selective amine transaminase for the acceptance of bulky substrates.
Chem.Commun.(Camb.), 57, 2021
8T90
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BU of 8t90 by Molmil
Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and myo-(3OH)IP5
分子名称: (1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)], ADENOSINE-5'-DIPHOSPHATE, Kinase, ...
著者Zong, G, Wang, H, Shears, S.B.
登録日2023-06-23
公開日2023-11-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8FWE
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BU of 8fwe by Molmil
Neck structure of Agrobacterium phage Milano, C3 symmetry
分子名称: Collar sheath protein, gp13, Neck 1 protein, ...
著者Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H.
登録日2023-01-21
公開日2023-12-06
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
8I68
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BU of 8i68 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III
分子名称: 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
6X83
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BU of 6x83 by Molmil
Crystal Structure of TNFalpha with fragment compound 6
分子名称: 1-benzyl-1H-benzimidazole, Tumor necrosis factor
著者Longenecker, K.L, Stoll, V.S.
登録日2020-06-01
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
8XQU
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BU of 8xqu by Molmil
The Crystal Structure of ClpC1-NTD from Biortus.
分子名称: 1,2-ETHANEDIOL, ATP-dependent Clp protease ATP-binding subunit ClpC1, DI(HYDROXYETHYL)ETHER, ...
著者Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
登録日2024-01-05
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Crystal Structure of ClpC1-NTD from Biortus.
To Be Published
8G1T
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BU of 8g1t by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BAX
著者Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S.
登録日2023-02-02
公開日2023-12-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.092 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8B59
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BU of 8b59 by Molmil
Rosellinia necatrix megabirnavirus 1-W779 Crown protein
分子名称: RnMBV1 Crown protein
著者Wang, H, Okamoto, K, Miyazaki, N, Suzuki, N.
登録日2022-09-22
公開日2023-02-22
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Capsid structure of a fungal dsRNA megabirnavirus reveals its previously unidentified surface architecture.
Plos Pathog., 19, 2023
8J2K
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BU of 8j2k by Molmil
Crystal structure of a bright green fluorescent protein (StayGold) with double mutation (N137A, Q140S) in jellyfish Cytaeis uchidae from Biortus
分子名称: 1,2-ETHANEDIOL, StayGold(N137A, Q140S)
著者Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y.
登録日2023-04-14
公開日2023-12-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a bright green fluorescent protein (StayGold) in jellyfish Cytaeis uchidae from Biortus
To Be Published
8J2J
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BU of 8j2j by Molmil
Crystal structure of a bright green fluorescent protein (StayGold) with single mutation (Y187F) in jellyfish Cytaeis uchidae from Biortus
分子名称: 1,2-ETHANEDIOL, SULFATE ION, StayGold(Y187F)
著者Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y.
登録日2023-04-14
公開日2023-12-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a bright green fluorescent protein (StayGold) in jellyfish Cytaeis uchidae from Biortus
To Be Published
8J2I
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BU of 8j2i by Molmil
Crystal structure of a bright green fluorescent protein (StayGold) with single mutation (Q140S) in jellyfish Cytaeis uchidae from Biortus
分子名称: 1,2-ETHANEDIOL, StayGold(Q140S)
著者Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y.
登録日2023-04-14
公開日2023-12-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a bright green fluorescent protein (StayGold) in jellyfish Cytaeis uchidae from Biortus
To Be Published
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
分子名称: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1
著者Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
登録日2020-04-11
公開日2021-02-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
6WOA
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BU of 6woa by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 2-Diphosphoinositol pentakisphosphate (2-IP7), Mg, and Fluoride ion
分子名称: (1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
著者Zong, G.N, Wang, H.C, Shears, S.B.
登録日2020-04-24
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021

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