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6MKU
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BU of 6mku by Molmil
Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D11A mutant from Salmonella typhimurium complexed with arginine
分子名称: ACETATE ION, ARGININE, GLYCEROL, ...
著者Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
登録日2018-09-26
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.727 Å)
主引用文献The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
8C3D
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BU of 8c3d by Molmil
Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
分子名称: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K
著者Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D.
登録日2022-12-23
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
6ML9
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BU of 6ml9 by Molmil
Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D30A mutant from Salmonella typhimurium complexed with arginine
分子名称: ACETATE ION, ARGININE, GLYCEROL, ...
著者Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
登録日2018-09-27
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.687 Å)
主引用文献The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
6MLN
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BU of 6mln by Molmil
Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) S72A mutant from Salmonella typhimurium complexed with arginine
分子名称: ACETATE ION, ARGININE, GLYCEROL, ...
著者Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
登録日2018-09-27
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.721 Å)
主引用文献The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
6MRS
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BU of 6mrs by Molmil
De novo designed protein Peak6
分子名称: Peak6, SULFATE ION
著者Koepnick, B, Boykov, A, Baker, D.
登録日2018-10-15
公開日2019-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献De novo protein design by citizen scientists.
Nature, 570, 2019
6MTT
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BU of 6mtt by Molmil
Crystal structure of VRC46.01 Fab in complex with gp41 peptide
分子名称: Antibody VRC46.01 Fab heavy chain, Antibody VRC46.01 Fb light chain, RV217 founder virus gp41 peptide
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Veradi, R, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MLD
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BU of 6mld by Molmil
Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) F52A mutant from Salmonella typhimurium
分子名称: ACETATE ION, Lysine/arginine/ornithine-binding periplasmic protein
著者Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
登録日2018-09-27
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
8GHX
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BU of 8ghx by Molmil
Crystal Structure of CelD Cellulase from the Anaerobic Fungus Piromyces finnis
分子名称: 1,2-ETHANEDIOL, Cellulase CelD
著者Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A.
登録日2023-03-13
公開日2023-05-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
6N2P
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BU of 6n2p by Molmil
Helical assembly of the CARD9 CARD
分子名称: Caspase recruitment domain-containing protein 9
著者Holliday, M.J, Rohou, A, Arthur, C.P, Dueber, E.C, Fairbrother, W.J.
登録日2018-11-13
公開日2019-07-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures of autoinhibited and polymerized forms of CARD9 reveal mechanisms of CARD9 and CARD11 activation.
Nat Commun, 10, 2019
8GHY
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BU of 8ghy by Molmil
Crystal Structure of the E154D mutant CelD Cellulase from the Anaerobic Fungus Piromyces finnis in the complex with cellotriose.
分子名称: Cellulase CelD, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A.
登録日2023-03-13
公開日2023-05-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
6NHA
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BU of 6nha by Molmil
Crystal structure of SYNT001, a human FcRn blocking monoclonal antibody
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, IgG receptor FcRn large subunit p51, ...
著者Blumberg, R.S, Cheung, J, Mahmood, A, Gandhi, A.K.
登録日2018-12-21
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.381 Å)
主引用文献Blocking FcRn in humans reduces circulating IgG levels and inhibits IgG immune complex-mediated immune responses.
Sci Adv, 5, 2019
3JTK
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BU of 3jtk by Molmil
Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055
分子名称: (2R)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA
著者Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2009-09-12
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055
To be Published
4Y7M
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BU of 4y7m by Molmil
T6SS protein TssM C-terminal domain (835-1129) from EAEC
分子名称: Hi113 protein, SULFATE ION, Type VI secretion protein IcmF
著者Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C.
登録日2015-02-15
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
4Y7L
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BU of 4y7l by Molmil
T6SS protein TssM C-terminal domain (869-1107) from EAEC
分子名称: GLYCEROL, Type VI secretion protein IcmF, ZINC ION
著者Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C.
登録日2015-02-15
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
7BII
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BU of 7bii by Molmil
Crystal structure of Nematocida HUWE1
分子名称: E3 ubiquitin-protein ligase HUWE1
著者Grabarczyk, D.B, Petrova, O.A, Meinhart, A, Kessler, D, Clausen, T.
登録日2021-01-12
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.037 Å)
主引用文献HUWE1 employs a giant substrate-binding ring to feed and regulate its HECT E3 domain.
Nat.Chem.Biol., 17, 2021
3JYH
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BU of 3jyh by Molmil
Human dipeptidyl peptidase DPP7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl-peptidase 2, ...
著者Dobrovetsky, E, Dong, A, Seitova, A, Crombett, L, Paganon, S, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Hassel, A, Shewchuk, L, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2009-09-21
公開日2009-10-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Human dipeptidyl peptidase DPP7
To be Published
4Y7O
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BU of 4y7o by Molmil
T6SS protein TssM C-terminal domain (869-1107) from EAEC
分子名称: Type VI secretion protein IcmF, Type VI secretion system protein VasD, ZINC ION
著者Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C.
登録日2015-02-15
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
5JUI
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BU of 5jui by Molmil
domain-swapped dimer of the the KRT10-binding region (BR) of PsrP
分子名称: Cell wall surface anchor family protein, GLYCEROL, SODIUM ION
著者Schulte, T, Mikaelsson, C, Achour, A.
登録日2016-05-10
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The BR domain of PsrP interacts with extracellular DNA to promote bacterial aggregation; structural insights into pneumococcal biofilm formation.
Sci Rep, 6, 2016
6CBY
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BU of 6cby by Molmil
Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975
分子名称: N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone
著者ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-02-05
公開日2018-03-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.
J.Med.Chem., 62, 2019
6MLA
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BU of 6mla by Molmil
Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D161A mutant from Salmonella typhimurium complexed with arginine
分子名称: ACETATE ION, ARGININE, GLYCEROL, ...
著者Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
登録日2018-09-27
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.582 Å)
主引用文献The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
7VAX
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BU of 7vax by Molmil
V1EG of V/A-ATPase from Thermus thermophilus at saturated ATP-gamma-S condition, state1-2
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Kishikawa, J, Nakanishi, A, Nakano, A, Saeki, S, Furuta, A, Kato, T, Mitsuoka, K, Yokoyama, K.
登録日2021-08-30
公開日2022-07-13
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural snapshots of V/A-ATPase reveal the rotary catalytic mechanism of rotary ATPases.
Nat Commun, 13, 2022
7VAI
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BU of 7vai by Molmil
V1EG of V/A-ATPase from Thermus thermophilus, state1-1
分子名称: V-type ATP synthase alpha chain, V-type ATP synthase beta chain, V-type ATP synthase subunit D, ...
著者Kishikawa, J, Nakanishi, A, Nakano, A, Saeki, S, Furuta, A, Kato, T, Mitsuoka, K, Yokoyama, K.
登録日2021-08-30
公開日2022-07-13
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural snapshots of V/A-ATPase reveal the rotary catalytic mechanism of rotary ATPases.
Nat Commun, 13, 2022
7VAL
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BU of 7val by Molmil
V1EG of V/A-ATPase from Thermus thermophilus, high ATP, state1-1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Kishikawa, J, Nakanishi, A, Nakano, A, Saeki, S, Furuta, A, Kato, T, Mitsuoka, K, Yokoyama, K.
登録日2021-08-30
公開日2022-07-13
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural snapshots of V/A-ATPase reveal the rotary catalytic mechanism of rotary ATPases.
Nat Commun, 13, 2022
7VAP
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BU of 7vap by Molmil
V1EG of V/A-ATPase from Thermus thermophilus, high ATP, state2-2
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Kishikawa, J, Nakanishi, A, Nakano, A, Saeki, S, Furuta, A, Kato, T, Mitsuoka, K, Yokoyama, K.
登録日2021-08-30
公開日2022-07-13
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural snapshots of V/A-ATPase reveal the rotary catalytic mechanism of rotary ATPases.
Nat Commun, 13, 2022
7VAT
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BU of 7vat by Molmil
V1EG of V/A-ATPase from Thermus thermophilus at low ATP concentration, state2-1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Kishikawa, J, Nakanishi, A, Nakano, A, Saeki, S, Furuta, A, Kato, T, Mitsuoka, K, Yokoyama, K.
登録日2021-08-30
公開日2022-07-13
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural snapshots of V/A-ATPase reveal the rotary catalytic mechanism of rotary ATPases.
Nat Commun, 13, 2022

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