6JAN
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![BU of 6jan by Molmil](/molmil-images/mine/6jan) | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein R356A in complex with maltose | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | Deposit date: | 2019-01-24 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter. Febs J., 287, 2020
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6YLO
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![BU of 6ylo by Molmil](/molmil-images/mine/6ylo) | mTurquoise2 - Directionality of Optical Properties of Fluorescent Proteins | Descriptor: | POTASSIUM ION, TETRAETHYLENE GLYCOL, mTurquoise2_C2221 | Authors: | Myskova, J, Rybakova, O, Brynda, J, Lazar, J. | Deposit date: | 2020-04-07 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Directionality of light absorption and emission in representative fluorescent proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
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1BDR
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![BU of 1bdr by Molmil](/molmil-images/mine/1bdr) | HIV-1 (2: 31, 33-37) PROTEASE COMPLEXED WITH INHIBITOR SB203386 | Descriptor: | (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV-1 PROTEASE | Authors: | Swairjo, M.A, Abdel-Meguid, S.S. | Deposit date: | 1998-05-10 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural role of the 30's loop in determining the ligand specificity of the human immunodeficiency virus protease. Biochemistry, 37, 1998
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1BHL
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![BU of 1bhl by Molmil](/molmil-images/mine/1bhl) | CACODYLATED CATALYTIC DOMAIN OF HIV-1 INTEGRASE | Descriptor: | HIV-1 INTEGRASE | Authors: | Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. | Deposit date: | 1998-06-10 | Release date: | 1998-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases. J.Mol.Biol., 282, 1998
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1AWP
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![BU of 1awp by Molmil](/molmil-images/mine/1awp) | RAT OUTER MITOCHONDRIAL MEMBRANE CYTOCHROME B5 | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, X, Zhang, X. | Deposit date: | 1997-10-03 | Release date: | 1998-10-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The reduction potential of cytochrome b5 is modulated by its exposed heme edge. Biochemistry, 37, 1998
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1BDQ
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![BU of 1bdq by Molmil](/molmil-images/mine/1bdq) | HIV-1 (2:31-37, 47, 82) PROTEASE COMPLEXED WITH INHIBITOR SB203386 | Descriptor: | (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV-1 PROTEASE | Authors: | Swairjo, M.A, Abdel-Meguid, S.S. | Deposit date: | 1998-05-10 | Release date: | 1998-08-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural role of the 30's loop in determining the ligand specificity of the human immunodeficiency virus protease. Biochemistry, 37, 1998
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1AY0
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![BU of 1ay0 by Molmil](/molmil-images/mine/1ay0) | IDENTIFICATION OF CATALYTICALLY IMPORTANT RESIDUES IN YEAST TRANSKETOLASE | Descriptor: | CALCIUM ION, THIAMINE DIPHOSPHATE, TRANSKETOLASE | Authors: | Wikner, C, Nilsson, U, Meshalkina, L, Udekwu, C, Lindqvist, Y, Schneider, G. | Deposit date: | 1997-11-13 | Release date: | 1998-05-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of catalytically important residues in yeast transketolase. Biochemistry, 36, 1997
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7TEN
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![BU of 7ten by Molmil](/molmil-images/mine/7ten) | |
1BH3
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![BU of 1bh3 by Molmil](/molmil-images/mine/1bh3) | |
5EW6
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![BU of 5ew6 by Molmil](/molmil-images/mine/5ew6) | Structure of ligand binding region of uPARAP at pH 7.4 without calcium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-type mannose receptor 2, ... | Authors: | Yuan, C, Huang, M. | Deposit date: | 2015-11-20 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structures of the ligand-binding region of uPARAP: effect of calcium ion binding Biochem.J., 473, 2016
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1ASK
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![BU of 1ask by Molmil](/molmil-images/mine/1ask) | NUCLEAR TRANSPORT FACTOR 2 (NTF2) H66A MUTANT | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | Authors: | Mccoy, A.J, Stewart, M.J. | Deposit date: | 1997-08-11 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Nuclear protein import is decreased by engineered mutants of nuclear transport factor 2 (NTF2) that do not bind GDP-Ran. J.Mol.Biol., 272, 1997
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7ZYM
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![BU of 7zym by Molmil](/molmil-images/mine/7zym) | Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | Authors: | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2022-05-25 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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1BDL
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![BU of 1bdl by Molmil](/molmil-images/mine/1bdl) | HIV-1 (2:31-37) PROTEASE COMPLEXED WITH INHIBITOR SB203386 | Descriptor: | (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV-1 PROTEASE | Authors: | Swairjo, M.A, Abdel-Meguid, S.S. | Deposit date: | 1998-05-10 | Release date: | 1998-08-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural role of the 30's loop in determining the ligand specificity of the human immunodeficiency virus protease. Biochemistry, 37, 1998
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7T3F
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![BU of 7t3f by Molmil](/molmil-images/mine/7t3f) | Development of BRD4 inhibitors as arsenicals antidotes | Descriptor: | 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL | Authors: | Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J. | Deposit date: | 2021-12-07 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals. Bioorg.Med.Chem.Lett., 64, 2022
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7ZYN
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![BU of 7zyn by Molmil](/molmil-images/mine/7zyn) | Crystal Structure of EGFR-T790M/C797S in Complex with WZ4002 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | Authors: | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2022-05-25 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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7ZYP
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![BU of 7zyp by Molmil](/molmil-images/mine/7zyp) | Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2022-05-25 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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1BI4
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![BU of 1bi4 by Molmil](/molmil-images/mine/1bi4) | CATALYTIC DOMAIN OF HIV-1 INTEGRASE | Descriptor: | INTEGRASE | Authors: | Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. | Deposit date: | 1998-06-22 | Release date: | 1998-11-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases. J.Mol.Biol., 282, 1998
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1BIQ
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![BU of 1biq by Molmil](/molmil-images/mine/1biq) | RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 BETA CHAIN MUTANT E238A | Descriptor: | FE (II) ION, FE (III) ION, HYDROXIDE ION, ... | Authors: | Logan, D.T, Demare, F, Persson, B.O, Slaby, A, Sjoberg, B.M, Nordlund, P. | Deposit date: | 1998-06-18 | Release date: | 1999-01-13 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of two self-hydroxylating ribonucleotide reductase protein R2 mutants: structural basis for the oxygen-insertion step of hydroxylation reactions catalyzed by diiron proteins. Biochemistry, 37, 1998
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5SSX
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![BU of 5ssx by Molmil](/molmil-images/mine/5ssx) | |
1AW7
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![BU of 1aw7 by Molmil](/molmil-images/mine/1aw7) | Q136A MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H. | Deposit date: | 1997-10-11 | Release date: | 1998-10-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity. Biochemistry, 37, 1998
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1AR2
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![BU of 1ar2 by Molmil](/molmil-images/mine/1ar2) | DISULFIDE-FREE IMMUNOGLOBULIN FRAGMENT | Descriptor: | REI | Authors: | Uson, I, Bes, M.T, Sheldrick, G.M, Schneider, T.R, Hartsch, T, Fritz, H.-J. | Deposit date: | 1997-08-08 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray crystallography reveals stringent conservation of protein fold after removal of the only disulfide bridge from a stabilized immunoglobulin variable domain. Structure Fold.Des., 2, 1997
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1AZS
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![BU of 1azs by Molmil](/molmil-images/mine/1azs) | |
5KV8
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![BU of 5kv8 by Molmil](/molmil-images/mine/5kv8) | Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex | Descriptor: | 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | Authors: | Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M. | Deposit date: | 2016-07-13 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design. Sci Rep, 7, 2017
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4X8R
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![BU of 4x8r by Molmil](/molmil-images/mine/4x8r) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM Rhodobacter sphaeroides (Rsph17029_2138, TARGET EFI-510205) WITH BOUND Glucuronate | Descriptor: | PHOSPHATE ION, TRAP dicarboxylate transporter, DctP subunit, ... | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-10 | Release date: | 2014-12-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM Rhodobacter sphaeroides (Rsph17029_2138, TARGET EFI-510205) WITH BOUND Glucuronate To be published
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6JAM
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![BU of 6jam by Molmil](/molmil-images/mine/6jam) | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein R356A in complex with trehalose | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | Deposit date: | 2019-01-24 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter. Febs J., 287, 2020
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