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5UNO
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BU of 5uno by Molmil
Crystal Structure of Hip1 (Rv2224c)
Descriptor: Carboxylesterase A
Authors:Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D.
Deposit date:2017-01-31
Release date:2017-04-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
6YAO
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BU of 6yao by Molmil
Crystal structure of ZmCKO4a in complex with inhibitor 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea
Descriptor: 1,2-ETHANEDIOL, 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea, Cytokinin dehydrogenase 4, ...
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2020-03-12
Release date:2020-10-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
6XVJ
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BU of 6xvj by Molmil
Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-22
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
7ZGX
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BU of 7zgx by Molmil
S-layer Deinoxanthin Binding Complex, C1 symmetry
Descriptor: S-layer protein SlpA
Authors:Farci, D, Piano, D.
Deposit date:2022-04-04
Release date:2022-07-13
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
7ZGY
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BU of 7zgy by Molmil
S-layer Deinoxanthin Binding Complex, C3 symmetry
Descriptor: (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol, COPPER (II) ION, FE (III) ION, ...
Authors:Farci, D, Piano, D.
Deposit date:2022-04-04
Release date:2022-07-13
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
8YZL
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BU of 8yzl by Molmil
Solution NMR structure of a RNA duplex formed by C9orf72 GGGGCC repeats
Descriptor: RNA (5'-R(*CP*CP*GP*GP*GP*GP*CP*CP*GP*G)-3')
Authors:Yang, Y, Zhang, Y, Guo, P, Han, D.
Deposit date:2024-04-07
Release date:2025-03-12
Method:SOLUTION NMR
Cite:Structural basis for the GGGGCC repeat RNA binding to SRSF2 protein.
Chin.J.Chem., 2025
1N90
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BU of 1n90 by Molmil
FOLLOWING THE C HEME REDUCTION IN NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA
Descriptor: HEME C, HEME D, NITRITE REDUCTASE
Authors:Nurizzo, D, Tegoni, M, Cambillau, C.
Deposit date:1998-09-04
Release date:1999-06-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Does the reduction of c heme trigger the conformational change of crystalline nitrite reductase?
J.Biol.Chem., 274, 1999
1NCS
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BU of 1ncs by Molmil
NMR STUDY OF SWI5 ZINC FINGER DOMAIN 1
Descriptor: TRANSCRIPTIONAL FACTOR SWI5, ZINC ION
Authors:Dutnall, R.N, Neuhaus, D, Rhodes, D.
Deposit date:1996-02-26
Release date:1996-06-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the first zinc finger domain of SWI5: a novel structural extension to a common fold.
Structure, 4, 1996
7OY2
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BU of 7oy2 by Molmil
High resolution structure of cytochrome bd-II oxidase from E. coli
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[(2~{E},6~{E},10~{Z},14~{E},18~{E},22~{E},26~{E})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione, CARDIOLIPIN, ...
Authors:Grund, T.N, Wu, D, Bald, D, Michel, H, Safarian, S.
Deposit date:2021-06-23
Release date:2021-12-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.06 Å)
Cite:Mechanistic and structural diversity between cytochrome bd isoforms of Escherichia coli .
Proc.Natl.Acad.Sci.USA, 118, 2021
7QC5
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BU of 7qc5 by Molmil
Crystal structure of human wild type transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)-(3-fluoro-5-hydroxyphenyl)methanone compound
Descriptor: (3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone, Transthyretin
Authors:Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
Deposit date:2021-11-22
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Development of a Highly Potent Transthyretin Amyloidogenesis Inhibitor: Design, Synthesis, and Evaluation.
J.Med.Chem., 65, 2022
6YAP
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BU of 6yap by Molmil
Crystal structure of ZmCKO4a in complex with inhibitor 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
Descriptor: 1,2-ETHANEDIOL, 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea, Cytokinin dehydrogenase 4, ...
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2020-03-12
Release date:2020-10-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
7R7N
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BU of 7r7n by Molmil
SARS-CoV-2 spike in complex with the S2D106 neutralizing antibody Fab fragment (local refinement of the RBD and S2D106)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2D106 FAB heavy chain, S2D106 FAB light chain, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-25
Release date:2021-07-21
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7RA8
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BU of 7ra8 by Molmil
SARS-CoV-2 S glycoprotein in complex with S2X259 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab S2X259 Fab variable domain, ...
Authors:Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-30
Release date:2021-08-04
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
7RAL
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BU of 7ral by Molmil
SARS-CoV-2 S bound to S2X259 Fab (local refinement of the RBD/S2X259 variable domains)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X259 Fab heavy chain, S2X259 Fab light chain, ...
Authors:Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-07-01
Release date:2021-08-04
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
6SQG
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BU of 6sqg by Molmil
Crystal structure of viral rhodopsin OLPVRII
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
Authors:Gushchin, I, Kovalev, K, Bratanov, D, Polovinkin, V, Astashkin, R, Popov, A, Bourenkov, G, Gordeliy, V.
Deposit date:2019-09-03
Release date:2019-11-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unique structure and function of viral rhodopsins.
Nat Commun, 10, 2019
7OMT
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BU of 7omt by Molmil
Crystal structure of ProMacrobody 21 with bound maltose
Descriptor: HEXAETHYLENE GLYCOL, MAGNESIUM ION, ProMacrobody 21, ...
Authors:Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M.
Deposit date:2021-05-24
Release date:2022-05-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
7OMM
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BU of 7omm by Molmil
Cryo-EM structure of N. gonorhoeae LptDE in complex with ProMacrobodies (MBPs have not been built de novo)
Descriptor: LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ProMacrobody 21,Maltodextrin-binding protein, ...
Authors:Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M.
Deposit date:2021-05-24
Release date:2022-05-04
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
4TNJ
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BU of 4tnj by Molmil
RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 4.5 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
9DFC
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BU of 9dfc by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with lasso peptide lariocidin, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.50A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Aleksandrova, E.V, Travin, D.Y, Jangra, M, Kaur, M, Darwish, L, Koteva, K, Klepacki, D, Wang, W, Tiffany, M, Sokaribo, A, Coombes, B.K, Vazquez-Laslop, N, Wright, G.D, Mankin, A.S, Polikanov, Y.S.
Deposit date:2024-08-29
Release date:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Broad Spectrum Lasso Peptide Antibiotic Targeting the Bacterial Ribosome.
Res Sq, 2024
7UCX
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BU of 7ucx by Molmil
LRP8 11H1 Fab complexed to a cyclized CR1 peptide
Descriptor: 11H1 Fab Heavy chain, 11H1 Fab Light chain, Cyclized CR1 peptide, ...
Authors:Argiriadi, M.A, Deng, K, Egan, D, Gao, L, Gizatullin, F, Harlan, J, Karaoglu, D, Qiu, W, Goodearl, A.
Deposit date:2022-03-17
Release date:2023-01-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The use of cyclic peptide antigens to generate LRP8 specific antibodies
Front Drug Discov (Lausanne), 2, 2023
7RD1
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BU of 7rd1 by Molmil
The Capsid Structure of the ChAdOx1 viral vector/chimpanzee adenovirus Y25
Descriptor: Hexon protein, Hexon-interlacing protein, Penton protein, ...
Authors:Baker, A.T, Boyd, R.J, Sarkar, D, Vermaas, J.V, Williams, D, Singharoy, A.
Deposit date:2021-07-08
Release date:2021-12-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome.
Sci Adv, 7, 2021
8Y0Q
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BU of 8y0q by Molmil
Complex of FMDV O/18074 and inter-serotype broadly neutralizing antibodies pOA-2
Descriptor: VP1 of capsid protein, VP2 of capsid protein, VP3 of capsid protein, ...
Authors:Wu, S, Lei, D.
Deposit date:2024-01-23
Release date:2024-10-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Discovery, recognized antigenic structures, and evolution of cross-serotype broadly neutralizing antibodies from porcine B-cell repertoires against foot-and-mouth disease virus.
Plos Pathog., 20, 2024
1PL7
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BU of 1pl7 by Molmil
Human Sorbitol Dehydrogenase (apo)
Descriptor: Sorbitol dehydrogenase, ZINC ION
Authors:Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L.
Deposit date:2003-06-07
Release date:2004-02-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003
1PL6
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BU of 1pl6 by Molmil
Human SDH/NADH/inhibitor complex
Descriptor: 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sorbitol dehydrogenase, ...
Authors:Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L.
Deposit date:2003-06-07
Release date:2004-02-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003
1PL8
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BU of 1pl8 by Molmil
human SDH/NAD+ complex
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, human sorbitol dehydrogenase
Authors:Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L.
Deposit date:2003-06-07
Release date:2004-02-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003

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