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1N47
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BU of 1n47 by Molmil
Isolectin B4 from Vicia villosa in complex with the Tn antigen
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, Isolectin B4, ...
著者Babino, A, Tello, D, Rojas, A, Bay, S, Osinaga, E, Alzari, P.M.
登録日2002-10-30
公開日2003-02-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of a plant lectin in complex with the Tn antigen
FEBS Lett., 536, 2003
4FMQ
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BU of 4fmq by Molmil
Crystal structure of human ERK2 complexed with a MAPK docking peptide
分子名称: MAPK DOCKING PEPTIDE, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Gogl, G, Toeroe, I, Remenyi, A.
登録日2012-06-18
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Specificity of linear motifs that bind to a common mitogen-activated protein kinase docking groove.
Sci.Signal., 5, 2012
3UG0
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BU of 3ug0 by Molmil
Crystal structure of a Trp-less green fluorescent protein translated by the simplified genetic code
分子名称: Green fluorescent protein
著者Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D.
登録日2011-11-02
公開日2012-10-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Simplification of the genetic code: restricted diversity of genetically encoded amino acids.
Nucleic Acids Res., 40, 2012
3UL3
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BU of 3ul3 by Molmil
Structural insights into thioredoxin-2: a component of malaria parasite protein secretion machinery
分子名称: Thioredoxin
著者Sharma, A, Sharma, A, Dixit, S, Sharma, A.
登録日2011-11-10
公開日2011-12-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.905 Å)
主引用文献Structural insights into thioredoxin-2: a component of malaria parasite protein secretion machinery.
Sci Rep, 1, 2011
2R8T
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BU of 2r8t by Molmil
Crystal structure of the fructose 1,6-bisphosphatase GlpX from E.coli in the complex with fructose 1,6-bisphosphate
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase class II glpX, UNKNOWN ATOM OR ION
著者Lunin, V.V, Skarina, T, Brown, G, Yakunin, A, Edwards, A.M, Savchenko, A.
登録日2007-09-11
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the fructose 1,6-bisphosphatase GlpX from E.coli in the complex with fructose 1,6-bisphosphate
To be Published
3KVH
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BU of 3kvh by Molmil
Crystal structure of human protein syndesmos (NUDT16-like protein)
分子名称: CHLORIDE ION, GLYCEROL, Protein syndesmos
著者Tresaugues, L, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kotzsch, A, Kraulis, P, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Roos, A.K, Schuler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2009-11-30
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human protein syndesmos (NUDT16L1)
To be Published
6DEV
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BU of 6dev by Molmil
Human caspase-6 E35K
分子名称: Caspase-6
著者Tubeleviciute-Aydin, A, Beautrait, A, Lynham, J, Sharma, G, Gorelik, A, Deny, L.J, Soya, N, Lukacs, G.L, Nagar, B, Marinier, A, LeBlanc, A.C.
登録日2018-05-13
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献Identification of Allosteric Inhibitors against Active Caspase-6.
Sci Rep, 9, 2019
6X6P
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BU of 6x6p by Molmil
Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis
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, Spike glycoprotein
著者Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C.
登録日2020-05-28
公開日2020-06-10
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis.
Biorxiv, 2020
6R7X
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BU of 6r7x by Molmil
CryoEM structure of calcium-bound human TMEM16K / Anoctamin 10 in detergent (2mM Ca2+, closed form)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-10, CALCIUM ION, ...
著者Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Baronina, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-03-29
公開日2019-05-01
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
6RAV
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BU of 6rav by Molmil
Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
分子名称: 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
著者Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
登録日2019-04-08
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
4XYC
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BU of 4xyc by Molmil
NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES
分子名称: 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1
著者Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E.
登録日2015-02-02
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
4XZH
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BU of 4xzh by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
登録日2015-02-04
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4XZI
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BU of 4xzi by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
登録日2015-02-04
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4XZN
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BU of 4xzn by Molmil
Crystal structure of the methylated K125R/V301L AKR1B10 Holoenzyme
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A.
登録日2015-02-04
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4FJV
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BU of 4fjv by Molmil
Crystal Structure of Human Otubain2 and Ubiquitin Complex
分子名称: ETHANAMINE, GLYCEROL, Polyubiquitin-C, ...
著者Altun, M, Walter, T.S, Kramer, H.B, Iphofer, A, David, Y, Komsany, A, Ternette, N, Nicholson, B, Navon, A, Stuart, D.I, Ren, J, Kessler, B.M.
登録日2012-06-12
公開日2013-06-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献The human otubain2-ubiquitin structure provides insights into the cleavage specificity of poly-ubiquitin-linkages.
Plos One, 10, 2015
4XZL
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BU of 4xzl by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and JF0049
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
登録日2015-02-04
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
2FAM
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BU of 2fam by Molmil
X-RAY CRYSTAL STRUCTURE OF FERRIC APLYSIA LIMACINA MYOGLOBIN IN DIFFERENT LIGANDED STATES
分子名称: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
著者Conti, E, Moser, C, Rizzi, M, Mattevi, A, Lionetti, C, Coda, A, Ascenzi, P, Brunori, M, Bolognesi, M.
登録日1993-07-20
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystal structure of ferric Aplysia limacina myoglobin in different liganded states.
J.Mol.Biol., 233, 1993
5FEP
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BU of 5fep by Molmil
HydE from T. maritima in complex with (2R,4R)-MeTDA
分子名称: (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
著者Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
登録日2015-12-17
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FRA
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BU of 5fra by Molmil
CBM40_CPF0721-6'SL
分子名称: ACETATE ION, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ...
著者Ribeiro, J.P, Pau, W, Pifferi, C, Renaudet, O, Varrot, A, Mahal, L.K, Imberty, A.
登録日2015-12-16
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Characterization of a High-Affinity Sialic Acid-Specific Cbm40 from Clostridium Perfringens and Engineering of a Divalent Form.
Biochem.J., 473, 2016
5JMG
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BU of 5jmg by Molmil
X-ray structure of the complex between bovine pancreatic ribonuclease and pentachlorocarbonyliridate(III) (4 days of soaking)
分子名称: CARBON MONOXIDE, CHLORIDE ION, IRIDIUM ION, ...
著者Caterino, M, Petruk, A.A, Vergara, A, Ferraro, G, Merlino, A.
登録日2016-04-29
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules.
Dalton Trans, 45, 2016
5FVN
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BU of 5fvn by Molmil
X-ray crystal structure of Enterobacter cloacae OmpE36 porin.
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 3-HYDROXY-TETRADECANOIC ACID, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, ...
著者Arunmanee, W, Pathania, M, Soloyova, A, Brun, A, Ridley, H, Basle, A, van den Berg, B, Lakey, J.H.
登録日2016-02-09
公開日2016-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Gram-negative trimeric porins have specific LPS binding sites that are essential for porin biogenesis.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7YXA
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BU of 7yxa by Molmil
XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid, ...
著者Lyapina, E, Marin, E, Gusach, A, Orekhov, P, Gerasimov, A, Luginina, A, Vakhrameev, D, Ergasheva, M, Kovaleva, M, Khusainov, G, Khorn, P, Shevtsov, M, Kovalev, K, Okhrimenko, I, Bukhdruker, S, Popov, P, Hu, H, Weierstall, U, Liu, W, Cho, Y, Gushchin, I, Rogachev, A, Bourenkov, G, Park, S, Park, G, Huyn, H.J, Park, J, Gordeliy, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
登録日2022-02-15
公開日2022-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for receptor selectivity and inverse agonism in S1P 5 receptors.
Nat Commun, 13, 2022
5FF0
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BU of 5ff0 by Molmil
HydE from T. maritima in complex with S-adenosyl-L-cysteine and methionine
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, Fe4-Se4 cluster, ...
著者Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
登録日2015-12-17
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5XAP
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Crystal structure of SecDF in I form (C2 space group)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Protein translocase subunit SecD
著者Tsukazaki, T, Tanaka, Y, Furukwa, A.
登録日2017-03-14
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.605 Å)
主引用文献Tunnel Formation Inferred from the I-Form Structures of the Proton-Driven Protein Secretion Motor SecDF
Cell Rep, 19, 2017
5XAM
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Crystal structure of SecDF in I form at 4 A resolution
分子名称: Protein translocase subunit SecD
著者Tsukazaki, T, Tanaka, Y, Furukwa, A.
登録日2017-03-14
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Tunnel Formation Inferred from the I-Form Structures of the Proton-Driven Protein Secretion Motor SecDF
Cell Rep, 19, 2017

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