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4TY7
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BU of 4ty7 by Molmil
Factor XIa in complex with the inhibitor (2S)-6-amino-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-2-ethylhexanamide
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Wei, A.
登録日2014-07-08
公開日2014-12-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Phenylimidazoles as Potent and Selective Inhibitors of Coagulation Factor XIa with in Vivo Antithrombotic Activity.
J.Med.Chem., 57, 2014
5UP1
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BU of 5up1 by Molmil
Solution structure of the de novo mini protein EEHEE_rd3_1049
分子名称: EEHEE_rd3_1049
著者Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H.
登録日2017-02-01
公開日2017-07-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
8G5N
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BU of 8g5n by Molmil
Cryo-EM structure of the Guide loop Engagement Complex (VI) of Human Mitochondrial DNA Polymerase Gamma
分子名称: DNA polymerase subunit gamma-1, DNA polymerase subunit gamma-2, mitochondrial, ...
著者Nayak, A.R, Buchel, G, Herbine, K.H, Sarfallah, A, Sokolova, V.O, Zamudio-Ochoa, A, Temiakov, D.
登録日2023-02-13
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structural basis for DNA proofreading.
Nat Commun, 14, 2023
8G5K
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BU of 8g5k by Molmil
Cryo-EM structure of the Wedge Alignment Complex (VIII) of Human Mitochondrial DNA Polymerase Gamma
分子名称: DNA polymerase subunit gamma-1, DNA polymerase subunit gamma-2, mitochondrial, ...
著者Nayak, A.R, Buchel, G, Herbine, K.H, Sarfallah, A, Sokolova, V.O, Zamudio-Ochoa, A, Temiakov, D.
登録日2023-02-13
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for DNA proofreading.
Nat Commun, 14, 2023
8G5I
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BU of 8g5i by Molmil
Cryo-EM structure of the Mismatch Sensing Complex (I) of Human Mitochondrial DNA Polymerase Gamma
分子名称: DNA polymerase subunit gamma-1, DNA polymerase subunit gamma-2, mitochondrial, ...
著者Nayak, A.R, Buchel, G, Herbine, K.H, Sarfallah, A, Sokolova, V.O, Zamudio-Ochoa, A, Temiakov, D.
登録日2023-02-13
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Structural basis for DNA proofreading.
Nat Commun, 14, 2023
8G5M
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BU of 8g5m by Molmil
Cryo-EM structure of the Mismatch Locking Complex (III) of Human Mitochondrial DNA Polymerase Gamma
分子名称: DNA polymerase subunit gamma-1, DNA polymerase subunit gamma-2, mitochondrial, ...
著者Nayak, A.R, Buchel, G, Herbine, K.H, Sarfallah, A, Sokolova, V.O, Zamudio-Ochoa, A, Temiakov, D.
登録日2023-02-13
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Structural basis for DNA proofreading.
Nat Commun, 14, 2023
8G5J
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BU of 8g5j by Molmil
Cryo-EM structure of the Mismatch Uncoupling Complex (II) of Human Mitochondrial DNA Polymerase Gamma
分子名称: DNA polymerase subunit gamma-1, DNA polymerase subunit gamma-2, mitochondrial, ...
著者Nayak, A.R, Buchel, G, Herbine, K.H, Sarfallah, A, Sokolova, V.O, Zamudio-Ochoa, A, Temiakov, D.
登録日2023-02-13
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Structural basis for DNA proofreading.
Nat Commun, 14, 2023
8G5P
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BU of 8g5p by Molmil
Cryo-EM structure of the Guide loop Engagement Complex (V) of Human Mitochondrial DNA Polymerase Gamma
分子名称: DNA polymerase subunit gamma-1, DNA polymerase subunit gamma-2, mitochondrial, ...
著者Nayak, A.R, Buchel, G, Herbine, K.H, Sarfallah, A, Sokolova, V.O, Zamudio-Ochoa, A, Temiakov, D.
登録日2023-02-13
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Structural basis for DNA proofreading.
Nat Commun, 14, 2023
8G5L
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BU of 8g5l by Molmil
Cryo-EM structure of the Primer Separation Complex (IX) of Human Mitochondrial DNA Polymerase Gamma
分子名称: DNA polymerase subunit gamma-1, DNA polymerase subunit gamma-2, mitochondrial, ...
著者Nayak, A.R, Buchel, G, Herbine, K.H, Sarfallah, A, Sokolova, V.O, Zamudio-Ochoa, A, Temiakov, D.
登録日2023-02-13
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for DNA proofreading.
Nat Commun, 14, 2023
8G5O
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BU of 8g5o by Molmil
Cryo-EM structure of the Guide loop Engagement Complex (IV) of Human Mitochondrial DNA Polymerase Gamma
分子名称: DNA polymerase subunit gamma-1, DNA polymerase subunit gamma-2, mitochondrial, ...
著者Nayak, A.R, Buchel, G, Herbine, K.H, Sarfallah, A, Sokolova, V.O, Zamudio-Ochoa, A, Temiakov, D.
登録日2023-02-13
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Structural basis for DNA proofreading.
Nat Commun, 14, 2023
7XMP
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BU of 7xmp by Molmil
High resolution structure of lectin-like Ox-LDL receptor 1 in space group P 32 2 1
分子名称: Oxidized low-density lipoprotein receptor 1
著者Tomar, A, Varughese, K.I, Arockiasamy, A.
登録日2022-04-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献High resolution structure of lectin like Ox-LDL receptor 1 in space group P 32 2 1
To Be Published
7XBJ
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BU of 7xbj by Molmil
Txp40, an insecticidal toxin protein from Xenorhabdus nematophila
分子名称: 40kDa insecticidal toxin
著者Kinkar, O, Kumar, A, Prashar, A, Hire, R.S, Makde, R.D.
登録日2022-03-21
公開日2023-03-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The crystal structure of insecticidal protein Txp40 from Xenorhabdus nematophila reveals a two-domain unique binary toxin with homology to the toxin-antitoxin (TA) system.
Insect Biochem.Mol.Biol., 164, 2023
4U39
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BU of 4u39 by Molmil
Crystal Structure of FtsZ:MciZ Complex from Bacillus subtilis
分子名称: Cell division factor, Cell division protein FtsZ, PHOSPHATE ION
著者Bisson-Filho, A.W, Discola, K.F, Castellen, P, Blasios, V, Martins, A, Sforca, M.L, Garcia, W, Zeri, A.C, Erickson, H.P, Dessen, A, Gueiros-Filho, F.J.
登録日2014-07-19
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.194 Å)
主引用文献Crystal Structure of FtsZ:MciZ Complex from Bacillus subtilis
To be Published
8EV1
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BU of 8ev1 by Molmil
Dual Modulators
分子名称: (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ...
著者Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G.
登録日2022-10-19
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
6RZ9
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BU of 6rz9 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ...
著者Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
登録日2019-06-12
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
8EV2
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BU of 8ev2 by Molmil
Dual Modulators
分子名称: (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ...
著者Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G.
登録日2022-10-19
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
4UCQ
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BU of 4ucq by Molmil
Structure of the T18D small subunit mutant of D. fructosovorans NiFe- hydrogenase
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
著者Abou-Hamdan, A, Ceccaldi, P, Lebrette, H, Guttierez-Sanz, O, Richaud, P, Cournac, L, Guigliarelli, B, deLacey, A.L, Leger, C, Volbeda, A, Burlat, B, Dementin, S.
登録日2014-12-04
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A threonine stabilizes the NiC and NiR catalytic intermediates of [NiFe]-hydrogenase.
J. Biol. Chem., 290, 2015
3EOE
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BU of 3eoe by Molmil
Crystal Structure of Pyruvate Kinase from toxoplasma gondii, 55.m00007
分子名称: GLYCEROL, Pyruvate kinase
著者Wernimont, A.K, Lew, J, Kozieradzki, I, Wasney, G, Hassani, A, Vedadi, M, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Structural Genomics Consortium (SGC)
登録日2008-09-26
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The crystal structure of Toxoplasma gondii pyruvate kinase 1.
Plos One, 5, 2010
4UIR
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BU of 4uir by Molmil
Structure of oleate hydratase from Elizabethkingia meningoseptica
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ...
著者Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K.
登録日2015-04-02
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica.
Chembiochem, 16, 2015
3EDG
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BU of 3edg by Molmil
Crystal structure of bone morphogenetic protein 1 protease domain
分子名称: ACETYL GROUP, Bone morphogenetic protein 1, ZINC ION
著者Mac Sweeney, A.
登録日2008-09-03
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural basis for the substrate specificity of bone morphogenetic protein 1/tolloid-like metalloproteases
To be Published
7YC6
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BU of 7yc6 by Molmil
Crystal structure of D110P mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
分子名称: GMP synthase [glutamine-hydrolyzing] subunit A, ZINC ION
著者Chandrashekarmath, A, Bellur, A.
登録日2022-06-30
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of D110P mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
To Be Published
7DED
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BU of 7ded by Molmil
Mevo lectin complex with mannoheptose (Man7)
分子名称: 1,2-ETHANEDIOL, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ...
著者Sivaji, N, Surolia, A, Vijayan, M.
登録日2020-11-03
公開日2021-04-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.228 Å)
主引用文献Mevo lectin specificity toward high-mannose structures with terminal alpha Man(1,2) alpha Man residues and its implication to inhibition of the entry of Mycobacterium tuberculosis into macrophages.
Glycobiology, 31, 2021
4UFC
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BU of 4ufc by Molmil
Crystal structure of the GH95 enzyme BACOVA_03438
分子名称: CACODYLATE ION, CALCIUM ION, GH95, ...
著者Rogowski, A, Briggs, J.A, Mortimer, J.C, Tryfona, T, Terrapon, N, Lowe, E.C, Basle, A, Morland, C, Day, A.M, Zheng, H, Rogers, T.E, Thompson, P, Hawkins, A.R, Yadav, M.P, Henrissat, B, Martens, E.C, Dupree, P, Gilbert, H.J, Bolam, D.N.
登録日2015-03-16
公開日2015-07-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Glycan Complexity Dictates Microbial Resource Allocation in the Large Intestine.
Nat.Commun., 6, 2015
6RUP
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BU of 6rup by Molmil
Human mitochondrial single-stranded DNA binding protein, SSBP1, at 2.1 A resolution - elucidated sequence
分子名称: MAGNESIUM ION, SER-SER-SER-SER, Single-stranded DNA-binding protein, ...
著者Tarres-Sole, A, Chakraborty, A, Spelbrink, H.N, Delettre, C, Sola, M.
登録日2019-05-28
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dominant mutations in mtDNA maintenance gene SSBP1 cause optic atrophy and foveopathy.
J.Clin.Invest., 130, 2020
4TY6
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BU of 4ty6 by Molmil
Factor XIa in complex with the inhibitor 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide
分子名称: 1,2-ETHANEDIOL, 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide, CYS-THR-THR-LYS-ILE-LYS-PRO, ...
著者Wei, A.
登録日2014-07-07
公開日2014-12-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Phenylimidazoles as Potent and Selective Inhibitors of Coagulation Factor XIa with in Vivo Antithrombotic Activity.
J.Med.Chem., 57, 2014

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