5LND
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![BU of 5lnd by Molmil](/molmil-images/mine/5lnd) | Crystal structure of self-complemented MyfA, the major subunit of Myf fimbriae from Yersinia enterocolitica | Descriptor: | Fimbrial protein MyfA,Fimbrial protein MyfA,Fimbrial protein MyfA | Authors: | Pakharukova, N.A, Roy, S, Tuitilla, M, Zavialov, A.V. | Deposit date: | 2016-08-04 | Release date: | 2016-08-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structural basis for Myf and Psa fimbriae-mediated tropism of pathogenic strains of Yersinia for host tissues. Mol.Microbiol., 102, 2016
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8BHD
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![BU of 8bhd by Molmil](/molmil-images/mine/8bhd) | N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (Tbxo4 derivative crystal structure) | Descriptor: | GLYCEROL, Glutamate--tRNA ligase, SULFATE ION, ... | Authors: | Benas, P, Jaramillo Ponce, J.R, Legrand, P, Frugier, M, Sauter, C. | Deposit date: | 2022-10-31 | Release date: | 2023-01-25 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes. Protein Sci., 32, 2023
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5LN4
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![BU of 5ln4 by Molmil](/molmil-images/mine/5ln4) | Crystal structure of self-complemented PsaA, the major subunit of pH 6 antigen from Yersinia pests, in complex with choline | Descriptor: | CHOLINE ION, pH 6 antigen,pH 6 antigen | Authors: | Pakharukova, N.A, Roy, S, Rahman, M.M, Tuitilla, M, Zavialov, A.V. | Deposit date: | 2016-08-03 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural basis for Myf and Psa fimbriae-mediated tropism of pathogenic strains of Yersinia for host tissues. Mol.Microbiol., 102, 2016
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5LO7
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![BU of 5lo7 by Molmil](/molmil-images/mine/5lo7) | Crystal structure of self-complemented MyfA, the major subunit of Myf fimbriae from Yersinia enterocolitica | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Fimbrial protein MyfA,Fimbrial protein MyfA | Authors: | Pakharukova, N.A, Roy, S, Tuitilla, M, Zavialov, A.V. | Deposit date: | 2016-08-08 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for Myf and Psa fimbriae-mediated tropism of pathogenic strains of Yersinia for host tissues. Mol.Microbiol., 102, 2016
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7SVT
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![BU of 7svt by Molmil](/molmil-images/mine/7svt) | Mycobacterium tuberculosis 3-hydroxyl-ACP dehydratase HadAB in complex with 1,3-diarylpyrazolyl-acylsulfonamide inhibitor | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 1,2-ETHANEDIOL, 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide, ... | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2021-11-19 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis . Acs Infect Dis., 8, 2022
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5WHR
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![BU of 5whr by Molmil](/molmil-images/mine/5whr) | Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate. | Descriptor: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A. | Deposit date: | 2017-07-18 | Release date: | 2017-12-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate. J. Med. Chem., 60, 2017
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4X5X
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4X5W
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![BU of 4x5w by Molmil](/molmil-images/mine/4x5w) | HLA-DR1 with CLIP102-120(M107W) | Descriptor: | HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | Guenther, S, Freund, C. | Deposit date: | 2014-12-06 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | MHC class II complexes sample intermediate states along the peptide exchange pathway. Nat Commun, 7, 2016
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3JVS
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![BU of 3jvs by Molmil](/molmil-images/mine/3jvs) | Characterization of the Chk1 allosteric inhibitor binding site | Descriptor: | 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-naphthalen-1-ylhydrazinecarboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Chen, P. | Deposit date: | 2009-09-17 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of the CHK1 allosteric inhibitor binding site. Biochemistry, 48, 2009
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3JVR
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![BU of 3jvr by Molmil](/molmil-images/mine/3jvr) | Characterization of the Chk1 allosteric inhibitor binding site | Descriptor: | (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate, Serine/threonine-protein kinase Chk1 | Authors: | Chen, P. | Deposit date: | 2009-09-17 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Characterization of the CHK1 allosteric inhibitor binding site. Biochemistry, 48, 2009
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6FJY
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![BU of 6fjy by Molmil](/molmil-images/mine/6fjy) | Crystal structure of CsuC-CsuE chaperone-tip adhesion subunit pre-assembly complex from archaic chaperone-usher Csu pili of Acinetobacter baumannii | Descriptor: | CsuC, Protein CsuE | Authors: | Pakharukova, N.A, Tuitilla, M, Paavilainen, S, Zavialov, A.V. | Deposit date: | 2018-01-23 | Release date: | 2018-05-16 | Last modified: | 2018-09-19 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural basis forAcinetobacter baumanniibiofilm formation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1OBH
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![BU of 1obh by Molmil](/molmil-images/mine/1obh) | LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A PRE-TRANSFER EDITING SUBSTRATE ANALOGUE IN BOTH SYNTHETIC ACTIVE SITE AND EDITING SITE | Descriptor: | LEUCYL-TRNA SYNTHETASE, MERCURY (II) ION, NORVALINE, ... | Authors: | Cusack, S, Yaremchuk, A, Tukalo, M. | Deposit date: | 2003-01-31 | Release date: | 2003-05-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Mechanistic Basis of Pre- and Posttransfer Editing by Leucyl-tRNA Synthetase Mol.Cell, 11, 2003
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4Y2D
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![BU of 4y2d by Molmil](/molmil-images/mine/4y2d) | Crystal structure of the mCD1d/7DW8-5/iNKTCR ternary complex | Descriptor: | 11-(4-fluorophenyl)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Yu, E.D. | Deposit date: | 2015-02-09 | Release date: | 2015-05-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells To Be Published
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5MRI
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![BU of 5mri by Molmil](/molmil-images/mine/5mri) | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ... | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | Deposit date: | 2016-12-23 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin. Bioorg. Med. Chem. Lett., 27, 2017
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4Y4K
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![BU of 4y4k by Molmil](/molmil-images/mine/4y4k) | Crystal structure of the mCD1d/EF77/iNKTCR ternary complex | Descriptor: | (4Z)-9-[(1R,2R)-2-decylcyclopropyl]-N-[(2S,3S,4S)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Birkholz, A.M. | Deposit date: | 2015-02-10 | Release date: | 2015-05-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells To Be Published
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4Y4F
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![BU of 4y4f by Molmil](/molmil-images/mine/4y4f) | Crystal structure of the mCD1d/GCK127/iNKTCR ternary complex | Descriptor: | (1R)-1,5-anhydro-1-[(1E,3S,4S,5R)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-D-galactitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Yu, E.D. | Deposit date: | 2015-02-10 | Release date: | 2015-05-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells To Be Published
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5MRH
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![BU of 5mrh by Molmil](/molmil-images/mine/5mrh) | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one, Sortilin, ... | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | Deposit date: | 2016-12-23 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin. Bioorg. Med. Chem. Lett., 27, 2017
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4Y4H
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![BU of 4y4h by Molmil](/molmil-images/mine/4y4h) | Crystal structure of the mCD1d/GCK152/iNKTCR ternary complex | Descriptor: | (1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Yu, E.D. | Deposit date: | 2015-02-10 | Release date: | 2015-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells To Be Published
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6K4F
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![BU of 6k4f by Molmil](/molmil-images/mine/6k4f) | SiaC of Pseudomonas aeruginosa | Descriptor: | DUF1987 domain-containing protein | Authors: | Lin, J.Q, Lescar, J. | Deposit date: | 2019-05-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.735 Å) | Cite: | The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa. Plos One, 15, 2020
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1OBC
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![BU of 1obc by Molmil](/molmil-images/mine/1obc) | LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A POST-TRANSFER EDITING SUBSTRATE ANALOGUE | Descriptor: | 2'-AMINO-2'-DEOXYADENOSINE, LEUCINE, LEUCYL-TRNA SYNTHETASE, ... | Authors: | Cusack, S, Yaremchuk, A, Tukalo, M. | Deposit date: | 2003-01-30 | Release date: | 2003-05-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Mechanistic Basis of Pre- and Posttransfer Editing by Leucyl-tRNA Synthetase Mol.Cell, 11, 2003
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5N12
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![BU of 5n12 by Molmil](/molmil-images/mine/5n12) | Crystal structure of TCE treated rPPEP-1 | Descriptor: | 2,2,2-tris-chloroethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ... | Authors: | Pichlo, C, Schacherl, M, Baumann, U. | Deposit date: | 2017-02-04 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer. Acta Crystallogr F Struct Biol Commun, 74, 2018
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4C46
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![BU of 4c46 by Molmil](/molmil-images/mine/4c46) | ANDREI-N-LVPAS fused to GCN4 adaptors | Descriptor: | BROMIDE ION, GENERAL CONTROL PROTEIN GCN4 | Authors: | Albrecht, R, Alva, V, Ammelburg, M, Baer, K, Basina, E, Boichenko, I, Bonhoeffer, F, Braun, V, Chaubey, M, Chauhan, N, Chellamuthu, V.R, Coles, M, Deiss, S, Ewers, C.P, Forouzan, D, Fuchs, A, Groemping, Y, Hartmann, M.D, Hernandez Alvarez, B, Jeganantham, A, Kalev, I, Koenninger, U, Koiwai, K, Kopec, K.O, Korycinski, M, Laudenbach, B, Lehmann, K, Leo, J.C, Linke, D, Marialke, J, Martin, J, Mechelke, M, Michalik, M, Noll, A, Patzer, S.I, Scharfenberg, F, Schueckel, M, Shahid, S.A, Sulz, E, Ursinus, A, Wuertenberger, S, Zhu, H. | Deposit date: | 2013-08-30 | Release date: | 2013-09-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Your Personalized Protein Structure: Andrei N. Lupas Fused to GCN4 Adaptors. J.Struct.Biol., 186, 2014
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6K4E
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![BU of 6k4e by Molmil](/molmil-images/mine/6k4e) | SiaA-PP2C domain of Pseudomonas aeruginosa | Descriptor: | MAGNESIUM ION, Putative serine phosphatase | Authors: | Lin, J.Q, Lescar, J. | Deposit date: | 2019-05-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa. Plos One, 15, 2020
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8BB8
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![BU of 8bb8 by Molmil](/molmil-images/mine/8bb8) | |
8RFK
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![BU of 8rfk by Molmil](/molmil-images/mine/8rfk) | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - single mutant pH8 | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, Quinoprotein glucose dehydrogenase B | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | Deposit date: | 2023-12-13 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2? Biosci.Rep., 44, 2024
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