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6TKJ
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BU of 6tkj by Molmil
Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 7keV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain, ...
著者Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B.
登録日2019-11-28
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
3ZO5
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BU of 3zo5 by Molmil
Structure of SENP2-Loop1 in complex with preSUMO-2
分子名称: SENTRIN-SPECIFIC PROTEASE 2, SMALL UBIQUITIN-RELATED MODIFIER 2
著者Alegre, K.O, Reverter, D.
登録日2013-02-20
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Insights Into the Senp6 Loop1 Structure in Complex with Sumo2.
Protein Sci., 23, 2014
8AWW
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BU of 8aww by Molmil
Transthyretin conjugated with a tafamidis derivative
分子名称: Transthyretin, ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide
著者Cerofolini, L, Vasa, K, Bianconi, E, Salobehaj, M, Cappelli, G, Licciardi, G, Perez-Rafols, A, Padilla Cortes, L.D, Antonacci, S, Rizzo, D, Ravera, E, Calderone, V, Parigi, G, Luchinat, C, Macchiarulo, A, Menichetti, S, Fragai, M.
登録日2022-08-30
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates.
Angew.Chem.Int.Ed.Engl., 62, 2023
3CPS
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BU of 3cps by Molmil
Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase
分子名称: Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Hills, T, Structural Genomics Consortium (SGC)
登録日2008-04-01
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase.
To be Published
8AQ3
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BU of 8aq3 by Molmil
In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with PE
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M.
登録日2022-08-11
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
2MOX
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BU of 2mox by Molmil
solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1
分子名称: Sorbin and SH3 domain-containing protein 1
著者Zhao, D, Wang, C, Zhang, J, Wu, J, Shi, Y, Zhang, Z, Gong, Q.
登録日2014-05-07
公開日2014-05-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
3J5Y
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BU of 3j5y by Molmil
Structure of the mammalian ribosomal pre-termination complex associated with eRF1-eRF3-GDPNP
分子名称: 5'-R(*AP*UP*UP*GP*UP*AP*AP*AP*AP*A)-3', Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, Eukaryotic peptide chain release factor subunit 1, ...
著者des Georges, A, Hashem, Y, Unbehaun, A, Grassucci, R.A, Taylor, D, Hellen, C.U.T, Pestova, T.V, Frank, J.
登録日2013-11-21
公開日2013-12-25
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (9.7 Å)
主引用文献Structure of the mammalian ribosomal pre-termination complex associated with eRF1*eRF3*GDPNP.
Nucleic Acids Res., 42, 2014
8AQ4
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BU of 8aq4 by Molmil
In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with TITC and lyso-PE
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M.
登録日2022-08-11
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
1FPZ
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BU of 1fpz by Molmil
CRYSTAL STRUCTURE ANALYSIS OF KINASE ASSOCIATED PHOSPHATASE (KAP) WITH A SUBSTITUTION OF THE CATALYTIC SITE CYSTEINE (CYS140) TO A SERINE
分子名称: CYCLIN-DEPENDENT KINASE INHIBITOR 3, SULFATE ION
著者Song, H, Hanlon, N, Brown, N.R, Noble, M.E.M, Johnson, L.N, Barford, D.
登録日2000-09-01
公開日2001-05-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2.
Mol.Cell, 7, 2001
3CS6
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BU of 3cs6 by Molmil
Structure-based design of a superagonist ligand for the vitamin D nuclear receptor
分子名称: (1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, Vitamin D3 receptor
著者Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, P, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D.
登録日2008-04-09
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
2MX1
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BU of 2mx1 by Molmil
Structure of the E. coli Threonylcarbamoyl-AMP Synthase TSAC
分子名称: Threonylcarbamoyl-AMP synthase
著者Harris, K.A, Bobay, B.G, Sarachan, K.L, Sims, A.F, Bilbille, Y, Deutsch, C, Iwata-Reuyl, D, Agris, P.F.
登録日2014-12-06
公開日2015-06-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR-based Structural Analysis of Threonylcarbamoyl-AMP Synthase and Its Substrate Interactions.
J.Biol.Chem., 290, 2015
6SS3
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BU of 6ss3 by Molmil
Kemp Eliminase HG3.17 mutant Q50K, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50K, ...
著者Bloch, J.S, Pinkas, D.M, Hilvert, D.
登録日2019-09-06
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
2MTM
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BU of 2mtm by Molmil
NMR structure of RCB-1 peptide
分子名称: Putative uncharacterized protein
著者Boldbaatar, D, Elseedi, H.R.
登録日2014-08-21
公開日2015-09-02
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Synthesis, Structural Characterization, and Bioactivity of the Stable Peptide RCB-1 from Ricinus communis.
J Nat Prod, 78, 2015
6SU3
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BU of 6su3 by Molmil
Crystal structure of the 48C12 heliorhodopsin in the violet form at pH 8.8
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 48C12 heliorhodopsin, EICOSANE, ...
著者Kovalev, K, Volkov, D, Astashkin, R, Alekseev, A, Gushchin, I, Gordeliy, V.
登録日2019-09-12
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution structural insights into the heliorhodopsin family.
Proc.Natl.Acad.Sci.USA, 117, 2020
6SUG
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BU of 6sug by Molmil
Crystal structure of transthyretin in complex with 3-deoxytolcapone, a tolcapone analogue
分子名称: 3-deoxytolcapone, Transthyretin
著者Loconte, V, Cianci, M, Menozzi, I, Sbravati, D, Sansone, F, Casnati, A, Berni, R.
登録日2019-09-14
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Interactions of tolcapone analogues as stabilizers of the amyloidogenic protein transthyretin.
Bioorg.Chem., 103, 2020
3JCT
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BU of 3jct by Molmil
Cryo-em structure of eukaryotic pre-60S ribosomal subunits
分子名称: 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
著者Wu, S, Kumcuoglu, B, Yan, K.G, Brown, H, Zhang, Y.X, Tan, D, Gamalinda, M, Yuan, Y, Li, Z.F, Jakovljevic, J, Ma, C.Y, Lei, J.L, Dong, M.Q, Woolford Jr, J.L, Gao, N.
登録日2016-03-09
公開日2016-06-01
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Diverse roles of assembly factors revealed by structures of late nuclear pre-60S ribosomes
Nature, 534, 2016
2NCN
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BU of 2ncn by Molmil
Solution Structure of the Autophagy-Related Protein LC3C
分子名称: Autophagy-Related Protein LC3C
著者Krichel, C, Weiergraeber, O.H, Willbold, D, Neudecker, P.
登録日2016-04-11
公開日2017-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the autophagy-related protein LC3C reveals a polyproline II motif on a mobile tether with phosphorylation site.
Sci Rep, 9, 2019
3JSR
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BU of 3jsr by Molmil
X-Ray structure of All0216 protein from Nostoc sp. PCC 7120 at the resolution 1.8A. Northeast Structural Genomics Consortium target NsR236
分子名称: All0216 protein, POTASSIUM ION
著者Kuzin, A.P, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-09-10
公開日2009-09-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray structure of All0216 protein from Nostoc sp. PCC 7120 at the resolution 1.8A
To be Published
3J9X
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BU of 3j9x by Molmil
A Virus that Infects a Hyperthermophile Encapsidates A-Form DNA
分子名称: DNA, coat protein
著者DiMaio, F, Yu, X, Rensen, E, Krupovic, M, Prangishvili, D, Egelman, E.
登録日2015-03-21
公開日2015-06-03
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A virus that infects a hyperthermophile encapsidates A-form DNA.
Science, 348, 2015
3CL9
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BU of 3cl9 by Molmil
Structure of bifunctional TcDHFR-TS in complex with MTX
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS), ...
著者Schormann, N, Senkovich, O, Chattopadhyay, D.
登録日2008-03-18
公開日2009-01-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008
2N9Z
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BU of 2n9z by Molmil
Solution structure of K1 lobe of double-knot toxin
分子名称: Tau-theraphotoxin-Hs1a
著者Bae, C, Anselmi, C, Kalia, J, Jara-Oseguera, A, Schwieters, C.D, Krepkiy, D, Lee, C.W, Kim, E.H, Kim, J.I, Faraldo-Gomez, J.D, Swartz, K.J.
登録日2015-12-16
公開日2016-03-02
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural insights into the mechanism of activation of the TRPV1 channel by a membrane-bound tarantula toxin
Elife, 5, 2016
1FI9
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BU of 1fi9 by Molmil
SOLUTION STRUCTURE OF THE IMIDAZOLE COMPLEX OF CYTOCHROME C
分子名称: CYTOCHROME C, HEME C, IMIDAZOLE
著者Banci, L, Bertini, I, Liu, G, Lu, J, Reddig, T, Tang, W, Wu, Y, Zhu, D.
登録日2000-08-03
公開日2000-08-23
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Effects of extrinsic imidazole ligation on the molecular and electronic structure of cytochrome c
J.Biol.Inorg.Chem., 6, 2001
8AHV
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BU of 8ahv by Molmil
Crystal structure of human cathepsin L in complex with calpain inhibitor XII
分子名称: (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate, 1,2-ETHANEDIOL, Cathepsin L, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-07-22
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
6SL1
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BU of 6sl1 by Molmil
Structure of the open conformation of CtTel1
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1
著者Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P.
登録日2019-08-16
公開日2019-10-30
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State.
Structure, 28, 2020
2NAA
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BU of 2naa by Molmil
NSD1-PHD_5-C5HCH tandem domain structure
分子名称: Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, ZINC ION
著者Berardi, A, Quilici, G, Spiliotopoulos, D, Musco, G.
登録日2015-12-22
公開日2016-03-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome.
Nucleic Acids Res., 44, 2016

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