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4U63
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BU of 4u63 by Molmil
Crystal structure of a bacterial class III photolyase from Agrobacterium tumefaciens at 1.67A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID, DNA photolyase, ...
著者Scheerer, P, Zhang, F, Kalms, J, von Stetten, D, Krauss, N, Oberpichler, I, Lamparter, T.
登録日2014-07-26
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways.
J.Biol.Chem., 290, 2015
6TKG
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BU of 6tkg by Molmil
Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 12keV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ...
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2024-11-06
実験手法X-RAY DIFFRACTION (1.35 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
4U64
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BU of 4u64 by Molmil
Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in the apo state
分子名称: Two component histidine kinase, GGDEF domain protein/EAL domain protein
著者Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S.
登録日2014-07-27
公開日2014-08-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP.
Elife, 3, 2014
6TC2
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BU of 6tc2 by Molmil
Monoclinic human insulin in complex with p-coumaric acid
分子名称: 4'-HYDROXYCINNAMIC ACID, Insulin, PHOSPHATE ION, ...
著者Triandafillidis, D.-P, Parthenios, N, Spiliopoulou, M, Valmas, A, Kosinas, C, Gozzo, F, Reinle-Schmitt, M, Beckers, D, Degen, T, Pop, M, Fitch, A, Wollenhaupt, J, Weiss, M.S, Karavassili, F, Margiolaki, I.
登録日2019-11-04
公開日2020-11-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Insulin polymorphism induced by two polyphenols: new crystal forms and advances in macromolecular powder diffraction.
Acta Crystallogr D Struct Biol, 76, 2020
6T39
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BU of 6t39 by Molmil
Crystal structure of rsEGFP2 in its off-state determined by SFX
分子名称: Green fluorescent protein
著者Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2019-10-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy.
Nat Commun, 11, 2020
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2024-11-20
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
6TSN
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BU of 6tsn by Molmil
Marasmius oreades agglutinin (MOA), papain back.swap W208Q-Q276W variant
分子名称: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-20
公開日2020-07-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
6TSU
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BU of 6tsu by Molmil
Capsid of empty GTA particle computed with C5 symmetry
分子名称: Major capsid protein Rcc01687, Uncharacterized protein
著者Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
登録日2019-12-21
公開日2020-07-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
6TUL
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BU of 6tul by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021177
分子名称: D-MALATE, Fab C0021177 heavy chain (IgG1), Fab C0021177 light chain (IgG1), ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2020-01-07
公開日2020-06-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
6TI7
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BU of 6ti7 by Molmil
Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils
分子名称: Amyloid-beta precursor protein
著者Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C.
登録日2019-11-21
公開日2020-07-22
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
6TAY
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BU of 6tay by Molmil
Mouse RNF213 mutant R4753K modeling the Moyamoya-disease-related Human variant R4810K
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNF213,E3 ubiquitin-protein ligase RNF213,E3 ubiquitin-protein ligase RNF213, ...
著者Ahel, J, Meinhart, A, Haselbach, D, Clausen, T.
登録日2019-10-31
公開日2020-07-01
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Moyamoya disease factor RNF213 is a giant E3 ligase with a dynein-like core and a distinct ubiquitin-transfer mechanism.
Elife, 9, 2020
4UE4
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BU of 4ue4 by Molmil
Structural basis for targeting and elongation arrest of Bacillus signal recognition particle
分子名称: 6S RNA, FTSQ SIGNAL SEQUENCE, SIGNAL RECOGNITION PARTICLE PROTEIN
著者Beckert, B, Kedrov, A, Sohmen, D, Kempf, G, Wild, K, Sinning, I, Stahlberg, H, Wilson, D.N, Beckmann, R.
登録日2014-12-15
公開日2015-09-09
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Translational Arrest by a Prokaryotic Signal Recognition Particle is Mediated by RNA Interactions.
Nat.Struct.Mol.Biol., 22, 2015
6T9C
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BU of 6t9c by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1346 (3a)
分子名称: 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Capelli, D.
登録日2019-10-27
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Insights into PPAR gamma Phosphorylation and Its Inhibition Mechanism.
J.Med.Chem., 63, 2020
6TAC
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BU of 6tac by Molmil
Human NAMPT deletion mutant in complex with nicotinamide mononucleotide, pyrophosphate, and Mg2+
分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Houry, D, Raasakka, A, Kursula, P, Ziegler, M.
登録日2019-10-29
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of structural determinants of NAMPT activity and substrate selectivity
To Be Published
3DHC
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BU of 3dhc by Molmil
1.3 Angstrom Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homocysteine Bound to The catalytic Metal Center
分子名称: GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homocysteine, ...
著者Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D.
登録日2008-06-17
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures.
Biochemistry, 47, 2008
6T3A
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BU of 6t3a by Molmil
Difference-refined structure of rsEGFP2 10 ns following 400-nm laser irradiation of the off-state determined by SFX
分子名称: Green fluorescent protein
著者Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2019-10-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy.
Nat Commun, 11, 2020
4U65
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BU of 4u65 by Molmil
Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in complex with Pseudomonas fluorescens LapG
分子名称: CALCIUM ION, Putative cystine protease, Two component histidine kinase, ...
著者Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S.
登録日2014-07-27
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP.
Elife, 3, 2014
6TFD
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BU of 6tfd by Molmil
Crystal structure of nitrite and NO bound three-domain copper-containing nitrite reductase from Hyphomicrobium denitrificans strain 1NES1
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ...
著者Sasaki, D, Watanabe, T.F, Eady, R.R, Garratt, R.C, Antonyuk, S.V, Hasnain, S.S.
登録日2019-11-13
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structures of substrate- and product-bound forms of a multi-domain copper nitrite reductase shed light on the role of domain tethering in protein complexes.
Iucrj, 7, 2020
5Q04
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BU of 5q04 by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-3-(5-bromo-1,3-thiazol-2-yl)urea
分子名称: 4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide, Fructose-1,6-bisphosphatase 1
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-3-(5-bromo-1,3-thiazol-2-yl)urea
To be published
6TL9
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BU of 6tl9 by Molmil
CRYSTAL STRUCTURE OF LECTIN-LIKE OX-LDL RECEPTOR 1 IN COMPLEX WITH BI-0115
分子名称: 9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one, GLYCEROL, Oxidized low-density lipoprotein receptor 1
著者Nar, H, Fiegen, D, Schnapp, G.
登録日2019-12-02
公開日2020-07-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.734 Å)
主引用文献A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state
Commun Chem, 2020
4UQH
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BU of 4uqh by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
分子名称: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ...
著者Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2014-06-23
公開日2014-08-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
4UMM
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BU of 4umm by Molmil
The Cryo-EM structure of the palindromic DNA-bound USP-EcR nuclear receptor reveals an asymmetric organization with allosteric domain positioning
分子名称: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, 5'-D(*CP*AP*AP*GP*GP*GP*TP*TP*CP*AP*AP*TP*GP*CP *AP*CP*TP*TP*GP*TP)-3', 5'-D(*DGP*AP*CP*AP*AP*GP*TP*GP*CP*AP*TP*TP*GP*DAP *AP*CP*CP*CP*TP*T)-3', ...
著者Maletta, M, Orlov, I, Moras, D, Billas, I.M.L, Klaholz, B.P.
登録日2014-05-19
公開日2014-06-25
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (11.6 Å)
主引用文献The Palindromic DNA-Bound Usp-Ecr Nuclear Receptor Adopts an Asymmetric Organization with Allosteric Domain Positioning.
Nat.Commun., 5, 2014
4UJ6
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BU of 4uj6 by Molmil
Structure of surface layer protein SbsC, domains 1-6
分子名称: SURFACE LAYER PROTEIN
著者Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W.
登録日2015-04-08
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of Surface Layer Protein Sbsc, Domains 1-6
To be Published
6TSP
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BU of 6tsp by Molmil
Marasmius oreades agglutinin (MOA) inhibited by zinc
分子名称: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-21
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: a protease caught in flagranti
Curr Res Struct Biol, 2, 2020
6T5J
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BU of 6t5j by Molmil
Structure of NUDT15 in complex with inhibitor TH1760
分子名称: 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one, CHLORIDE ION, MAGNESIUM ION, ...
著者Carter, M, Rehling, D, Desroses, M, Zhang, S.M, Hagenkort, A, Valerie, N.C.K, Helleday, T, Stenmark, P.
登録日2019-10-16
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of a chemical probe against NUDT15.
Nat.Chem.Biol., 16, 2020

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