2JSC
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![BU of 2jsc by Molmil](/molmil-images/mine/2jsc) | NMR structure of the cadmium metal-sensor CMTR from Mycobacterium tuberculosis | Descriptor: | CADMIUM ION, Transcriptional regulator Rv1994c/MT2050 | Authors: | Banci, L, Bertini, I, Cantini, F, Ciofi-Baffoni, S, Cavet, J.S, Dennison, C, Graham, A.I, Harvie, D.R, Robinson, N.J, Structural Proteomics in Europe (SPINE) | Deposit date: | 2007-07-02 | Release date: | 2007-07-31 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | NMR Structural Analysis of Cadmium Sensing by Winged Helix Repressor CmtR. J.Biol.Chem., 282, 2007
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4I7Y
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![BU of 4i7y by Molmil](/molmil-images/mine/4i7y) | Crystal Structure of Human Alpha Thrombin in Complex with a 27-mer Aptamer Bound to Exosite II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, DNA (27-MER), ... | Authors: | Pica, A, Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | Deposit date: | 2012-12-01 | Release date: | 2013-10-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Duplex-quadruplex motifs in a peculiar structural organization cooperatively contribute to thrombin binding of a DNA aptamer. Acta Crystallogr.,Sect.D, 69, 2013
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2QL5
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![BU of 2ql5 by Molmil](/molmil-images/mine/2ql5) | Crystal Structure of caspase-7 with inhibitor AC-DMQD-CHO | Descriptor: | CITRIC ACID, Caspase-7, inhibitor, ... | Authors: | Agniswamy, J, Fang, B, Weber, I. | Deposit date: | 2007-07-12 | Release date: | 2007-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis. Febs J., 274, 2007
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2QL9
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![BU of 2ql9 by Molmil](/molmil-images/mine/2ql9) | Crystal Structure of Caspase-7 with inhibitor AC-DQMD-CHO | Descriptor: | CITRIC ACID, Caspase-7, Inhibitor AC-DQMD-CHO, ... | Authors: | Agniswamy, J, Fang, B, Weber, I. | Deposit date: | 2007-07-12 | Release date: | 2007-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis. Febs J., 274, 2007
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6C43
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![BU of 6c43 by Molmil](/molmil-images/mine/6c43) | 2.9 Angstrom Resolution Crystal Structure of Gamma-Aminobutyraldehyde Dehydrogenase from Salmonella typhimurium. | Descriptor: | Gamma-aminobutyraldehyde dehydrogenase | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Tekleab, H, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-01-11 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 2.9 Angstrom Resolution Crystal Structure of Gamma-Aminobutyraldehyde Dehydrogenase from Salmonella typhimurium. To Be Published
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5MPH
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![BU of 5mph by Molmil](/molmil-images/mine/5mph) | Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily | Descriptor: | Grainyhead-like protein 1 homolog, IODIDE ION | Authors: | Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.337 Å) | Cite: | Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family. Nucleic Acids Res., 46, 2018
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3ZJA
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![BU of 3zja by Molmil](/molmil-images/mine/3zja) | |
1MK9
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![BU of 1mk9 by Molmil](/molmil-images/mine/1mk9) | CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA | Descriptor: | Integrin Beta3, TALIN | Authors: | Garcia-Alvarez, B, De Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C. | Deposit date: | 2002-08-28 | Release date: | 2003-01-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Determinants of Integrin Recognition by Talin Mol.Cell, 11, 2003
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6C6T
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![BU of 6c6t by Molmil](/molmil-images/mine/6c6t) | CryoEM structure of E.coli RNA polymerase elongation complex bound with RfaH | Descriptor: | DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Kang, J.Y, Artsimovitch, I, Landick, R, Darst, S.A. | Deposit date: | 2018-01-19 | Release date: | 2018-07-25 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural Basis for Transcript Elongation Control by NusG Family Universal Regulators. Cell, 173, 2018
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5MBG
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![BU of 5mbg by Molmil](/molmil-images/mine/5mbg) | Structure of a bacterial light-regulated adenylyl cyclase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, IODIDE ION | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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5UF4
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![BU of 5uf4 by Molmil](/molmil-images/mine/5uf4) | Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 with LNnT bound | Descriptor: | O13, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A. | Deposit date: | 2017-01-03 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates. Structure, 25, 2017
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6BXC
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![BU of 6bxc by Molmil](/molmil-images/mine/6bxc) | Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 9 (VLR9) bound | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R. | Deposit date: | 2017-12-18 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies. J. Mol. Biol., 430, 2018
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5TR7
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![BU of 5tr7 by Molmil](/molmil-images/mine/5tr7) | Crystal structure of a putative D-alanyl-D-alanine carboxypeptidase from Vibrio cholerae O1 biovar eltor str. N16961 | Descriptor: | D-alanyl-D-alanine carboxypeptidase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Shatsman, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-10-25 | Release date: | 2016-11-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of a putative D-alanyl-D-alanine carboxypeptidase from Vibrio cholerae O1 biovar eltor str. N16961 To Be Published
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5TVV
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![BU of 5tvv by Molmil](/molmil-images/mine/5tvv) | Computationally Designed Fentanyl Binder - Fen49* Apo | Descriptor: | Endo-1,4-beta-xylanase A, POTASSIUM ION | Authors: | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, A.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | Deposit date: | 2016-11-10 | Release date: | 2017-10-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Computational design of environmental sensors for the potent opioid fentanyl. Elife, 6, 2017
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6BRA
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![BU of 6bra by Molmil](/molmil-images/mine/6bra) | |
1M5F
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![BU of 1m5f by Molmil](/molmil-images/mine/1m5f) | X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH ACPA AT 1.95 A RESOLUTION | Descriptor: | (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ... | Authors: | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | Deposit date: | 2002-07-09 | Release date: | 2002-09-18 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core J.Mol.Biol., 322, 2002
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6CDJ
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![BU of 6cdj by Molmil](/molmil-images/mine/6cdj) | HIV-1 wild type protease with GRL-03314A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand | Descriptor: | (2aS,4R,4aS,7aS,7bS)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2018-02-08 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis. J. Med. Chem., 61, 2018
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8C26
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![BU of 8c26 by Molmil](/molmil-images/mine/8c26) | |
4XJR
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![BU of 4xjr by Molmil](/molmil-images/mine/4xjr) | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed | Descriptor: | (6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dirr, L, El-Deeb, I, Guillon, P, Carroux, C, Chavas, L, von Itzstein, M. | Deposit date: | 2015-01-08 | Release date: | 2015-02-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed. Angew.Chem.Int.Ed.Engl., 54, 2015
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8F23
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![BU of 8f23 by Molmil](/molmil-images/mine/8f23) | The crystal structure of a rationally designed zinc sensor based on maltose binding protein - Apo conformation | Descriptor: | Zinc Sensor protein | Authors: | Zhao, Z, Zhou, M, Zemerov, S.d, Marmorstein, R, Dmochowski, I.J. | Deposit date: | 2022-11-06 | Release date: | 2023-03-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Rational design of a genetically encoded NMR zinc sensor. Chem Sci, 14, 2023
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5UBU
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![BU of 5ubu by Molmil](/molmil-images/mine/5ubu) | 2.75 Angstrom Resolution Crystal Structure of Acetamidase from Yersinia enterocolitica. | Descriptor: | Putative acetamidase/formamidase, SODIUM ION | Authors: | Minasov, G, Shuvalova, L, Flores, K, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-12-21 | Release date: | 2017-01-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | 2.75 Angstrom Resolution Crystal Structure of Acetamidase from Yersinia enterocolitica. To Be Published
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1N4V
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![BU of 1n4v by Molmil](/molmil-images/mine/1n4v) | |
5UEH
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![BU of 5ueh by Molmil](/molmil-images/mine/5ueh) | Structure of GSTO1 covalently conjugated to quinolinic acid fluorosulfate | Descriptor: | 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid, GLYCEROL, Glutathione S-transferase omega-1, ... | Authors: | Mortenson, D.E, Wilson, I.A, Kelly, J.W. | Deposit date: | 2017-01-02 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140, 2018
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1HZH
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![BU of 1hzh by Molmil](/molmil-images/mine/1hzh) | CRYSTAL STRUCTURE OF THE INTACT HUMAN IGG B12 WITH BROAD AND POTENT ACTIVITY AGAINST PRIMARY HIV-1 ISOLATES: A TEMPLATE FOR HIV VACCINE DESIGN | Descriptor: | IMMUNOGLOBULIN HEAVY CHAIN, IMMUNOGLOBULIN LIGHT CHAIN,Uncharacterized protein, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Saphire, E.O, Burton, D.R, Wilson, I.A. | Deposit date: | 2001-01-24 | Release date: | 2001-08-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a neutralizing human IGG against HIV-1: a template for vaccine design. Science, 293, 2001
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8ETB
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![BU of 8etb by Molmil](/molmil-images/mine/8etb) | the crystal structure of a rationally designed zinc sensor based on maltose binding protein - Zn binding conformation | Descriptor: | ACETATE ION, ZINC ION, Zinc Sensor protein | Authors: | Zhao, Z, Zhou, M, Zemerov, S.D, Marmorstein, R, Dmochowski, I.J. | Deposit date: | 2022-10-16 | Release date: | 2023-03-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Rational design of a genetically encoded NMR zinc sensor. Chem Sci, 14, 2023
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