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4HWW
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BU of 4hww by Molmil
Crystal structure of human Arginase-1 complexed with inhibitor 9
分子名称: Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A.
登録日2012-11-09
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.298 Å)
主引用文献Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
8DF8
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BU of 8df8 by Molmil
Structure of M. kandleri topoisomerase V in complex with DNA. 40 base pair symmetric DNA complex
分子名称: DNA (42-MER), PHOSPHATE ION, PHOSPHITE ION, ...
著者Osterman, A, Mondragon, A.
登録日2022-06-21
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Structures of topoisomerase V in complex with DNA reveal unusual DNA binding mode and novel relaxation mechanism.
Elife, 11, 2022
8DF9
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BU of 8df9 by Molmil
Structure of M. kandleri topoisomerase V in complex with DNA. 38 base pair asymmetric DNA complex
分子名称: DNA (33-MER), DNA (5'-D(P*GP*CP*CP*TP*GP*CP*AP*CP*GP*AP*AP*GP*TP*AP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*CP*TP*GP*CP*AP*CP*GP*AP*AP*GP*TP*AP*AP*GP*CP*A)-3'), ...
著者Osterman, A, Mondragon, A.
登録日2022-06-21
公開日2022-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Structures of topoisomerase V in complex with DNA reveal unusual DNA binding mode and novel relaxation mechanism.
Elife, 11, 2022
8A43
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BU of 8a43 by Molmil
Human RNA polymerase I
分子名称: DNA-directed RNA polymerase I subunit RPA1, DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA2, ...
著者Daiss, J.L, Pilsl, M, Straub, K, Bleckmann, A, Hoecherl, M, Heiss, F.B, Abascal-Palacios, G, Ramsay, E, Tluckova, K, Mars, J.C, Fuertges, T, Bruckmann, A, Rudack, T, Bernecky, C, Lamour, V, Panov, K, Vannini, A, Moss, T, Engel, C.
登録日2022-06-10
公開日2022-08-31
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (4.09 Å)
主引用文献The human RNA polymerase I structure reveals an HMG-like docking domain specific to metazoans.
Life Sci Alliance, 5, 2022
8DFB
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BU of 8dfb by Molmil
Structure of M. kandleri topoisomerase V in complex with DNA. 39 base pair symmetric DNA complex
分子名称: DNA (40-MER), POTASSIUM ION, Topoisomerase V
著者Osterman, A, Mondragon, A.
登録日2022-06-21
公開日2022-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Structures of topoisomerase V in complex with DNA reveal unusual DNA binding mode and novel relaxation mechanism.
Elife, 11, 2022
5MB1
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BU of 5mb1 by Molmil
STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 2,4,6-Trimethylphenylsulfonamide-N-methyl-L-fucopyranoside
分子名称: CALCIUM ION, CITRATE ANION, Fucose-binding lectin PA-IIL, ...
著者Sommer, R, Imberty, A, Titz, A, Varrot, A.
登録日2016-11-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Glycomimetic, Orally Bioavailable LecB Inhibitors Block Biofilm Formation of Pseudomonas aeruginosa.
J. Am. Chem. Soc., 140, 2018
3ICU
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BU of 3icu by Molmil
Protease-associated domain of the E3 ligase grail
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, E3 ubiquitin-protein ligase RNF128
著者Walker, J.R, Yermekbayeva, L, Seitova, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-07-18
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PA Domain of the E3 Ligase Grail
To be Published
3IBS
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BU of 3ibs by Molmil
Crystal structure of conserved hypothetical protein BatB from Bacteroides thetaiotaomicron
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Hattne, J, Bearden, J, Borek, D, Nakka, C, Sather, A, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-16
公開日2009-08-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of conserved hypothetical protein BatB from Bacteroides thetaiotaomicron
To be Published
4R6Q
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BU of 4r6q by Molmil
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity.
分子名称: 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ...
著者Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M.
登録日2014-08-26
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
7ZJP
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BU of 7zjp by Molmil
Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106
分子名称: 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1
著者Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D.
登録日2022-04-11
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
8HRF
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BU of 8hrf by Molmil
Catalytic domain of Vibrio parahaemolyticus chitinase 1
分子名称: ACETATE ION, CALCIUM ION, Chitinase
著者Nakamura, A.
登録日2022-12-15
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalytic domain of Vibrio parahaemolyticus chitinase 1
To Be Published
7ASK
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BU of 7ask by Molmil
43S preinitiation complex from Trypanosoma cruzi with the kDDX60 helicase bound with ATP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, kDDX60
著者Bochler, A, Brito Querido, J, Prilepskaja, T, Soufari, H, Del Cistia, M.L, Kuhn, L, Rimoldi Ribeiro, A, Valasek, L.S, Hashem, Y.
登録日2020-10-27
公開日2021-04-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural Differences in Translation Initiation between Pathogenic Trypanosomatids and Their Mammalian Hosts.
Cell Rep, 33, 2020
521P
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BU of 521p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
分子名称: GUANOSINE-5'-TRIPHOSPHATE, H-RAS P21 PROTEIN, MAGNESIUM ION
著者Schlichting, I, Krengel, U, Kabsch, W, Wittinghofer, A, Pai, E.F.
登録日1991-06-06
公開日1994-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
8HSF
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BU of 8hsf by Molmil
Insulin triple mutant INS-RQD
分子名称: Insulin A chain, Insulin B chain
著者Kundapura, S.V, Rao, S.S, Kulal, A, Ramagopal, U.A.
登録日2022-12-19
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insulin triple mutant INS-RQD
To Be Published
6Y75
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BU of 6y75 by Molmil
BIL2 domain from T.thermophila BUBL1 locus (C1A-N143A)
分子名称: DI(HYDROXYETHYL)ETHER, FORMIC ACID, NAD(P)(+)--arginine ADP-ribosyltransferase, ...
著者Ilari, A, Chiarini, V.
登録日2020-02-28
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of ubiquitination mediated by protein splicing in early Eukarya.
Biochim Biophys Acta Gen Subj, 1865, 2021
5MAZ
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BU of 5maz by Molmil
STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 3-Thiophenesulfonamide-2,5-dimethyl-N-methyl-beta-L-fucopyranoside
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ...
著者Sommer, R, Imberty, A, Titz, A, Varrot, A.
登録日2016-11-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of a new class of C-glycoside based inhibitors of the virulence factor LecB from Pseudomonas aeruginosa
To Be Published
8DCP
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BU of 8dcp by Molmil
PI 3-kinase alpha with nanobody 3-126
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ASE
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BU of 7ase by Molmil
43S preinitiation complex from Trypanosoma cruzi with the kDDX60 helicase
分子名称: 18S, 40S ribosomal protein S10, putative, ...
著者Bochler, A, Brito Querido, J, Prilepskaja, T, Soufari, H, Del Cistia, M.L, Kuhn, L, Rimoldi Ribeiro, A, Valasek, L.S, Hashem, Y.
登録日2020-10-27
公開日2021-04-14
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Structural Differences in Translation Initiation between Pathogenic Trypanosomatids and Their Mammalian Hosts.
Cell Rep, 33, 2020
4XBE
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BU of 4xbe by Molmil
Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 gp41: crystals cryoprotected with sphingomyelin (02:0 SM (d18:1/2:0)).
分子名称: 4E10 FAB LIGHT CHAIN, 4E10 Fab heavy chain, PEPTIDE FRAGMENT OF HIV GLYCOPROTEIN (GP41) including the region 671-683 of the MPER, ...
著者Irimia, A, Stanfield, R.L, Wilson, I.A.
登録日2014-12-16
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.756 Å)
主引用文献Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
6B3J
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BU of 6b3j by Molmil
3.3 angstrom phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex
分子名称: Exendin-P5, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liang, Y.L, Khoshouei, M, Glukhova, A, Furness, S.G.B, Koole, C, Zhao, P, Clydesdale, L, Thal, D.M, Radjainia, M, Danev, R, Baumeister, W, Wang, M.W, Miller, L.J, Christopoulos, A, Sexton, P.M, Wootten, D.
登録日2017-09-22
公開日2018-02-21
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex.
Nature, 555, 2018
8DKU
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BU of 8dku by Molmil
CryoEM structure of the A. aeolicus WzmWzt transporter bound to the native O antigen
分子名称: 6-deoxy-3-O-methyl-alpha-D-mannopyranose-(1-3)-beta-D-rhamnopyranose-(1-2)-alpha-D-rhamnopyranose, ABC transporter, Transport permease protein
著者Spellmon, N, Muszynski, A, Vlach, J, Zimmer, J.
登録日2022-07-06
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular basis for polysaccharide recognition and modulated ATP hydrolysis by the O antigen ABC transporter.
Nat Commun, 13, 2022
4XBP
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BU of 4xbp by Molmil
Crystal structure of human 4E10 Fab crystalized in the presence of Phosphatidylethanolamine (06:0 PE)
分子名称: 4E10 FAB LIGHT CHAIN, 4E10 Fab heavy chain, GLYCEROL
著者Irimia, A, Stanfield, R.L, Wilson, I.A.
登録日2014-12-17
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
4XDJ
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BU of 4xdj by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in an alternate conformation (FORM 2)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, POTASSIUM ION, ...
著者Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2014-12-19
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
8DF7
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BU of 8df7 by Molmil
Structure of M. kandleri topoisomerase V in complex with DNA. 38 base pair symmetric DNA complex
分子名称: DNA (39-MER), POTASSIUM ION, Topoisomerase V
著者Osterman, A, Mondragon, A.
登録日2022-06-21
公開日2022-08-31
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献Structures of topoisomerase V in complex with DNA reveal unusual DNA binding mode and novel relaxation mechanism.
Elife, 11, 2022
8DD4
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BU of 8dd4 by Molmil
PI 3-kinase alpha with nanobody 3-142
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022

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