3OOC
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![BU of 3ooc by Molmil](/molmil-images/mine/3ooc) | Crystal structure of the membrane fusion protein CusB from Escherichia coli | Descriptor: | Cation efflux system protein cusB | Authors: | Su, C.-C, Yang, F, Long, F, Reyon, D, Routh, M.D, Kuo, D.W, Mokhtari, A.K, Van Ornam, J.D, Rabe, K.L, Hoy, J.A, Lee, Y.J, Rajashankar, K.R, Yu, E.W. | Deposit date: | 2010-08-30 | Release date: | 2010-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.404 Å) | Cite: | Crystal structure of the membrane fusion protein CusB from Escherichia coli. J.Mol.Biol., 393, 2009
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3ORZ
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![BU of 3orz by Molmil](/molmil-images/mine/3orz) | PDK1 mutant bound to allosteric disulfide fragment activator 2A2 | Descriptor: | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol | Authors: | Sadowsky, J.D, Wells, J.A. | Deposit date: | 2010-09-08 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9995 Å) | Cite: | Turning a protein kinase on or off from a single allosteric site via disulfide trapping. Proc.Natl.Acad.Sci.USA, 108, 2011
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6BT5
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![BU of 6bt5 by Molmil](/molmil-images/mine/6bt5) | Human mGlu8 Receptor complexed with L-AP4 | Descriptor: | (2S)-2-amino-4-phosphonobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 8 | Authors: | Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J. | Deposit date: | 2017-12-05 | Release date: | 2018-02-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity. Bioorg. Med. Chem. Lett., 28, 2018
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6FNP
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![BU of 6fnp by Molmil](/molmil-images/mine/6fnp) | Crystal structure of ECF-CbrT, a cobalamin transporter | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ... | Authors: | Santos, J.A, Rempel, S, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-02-05 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Functional and structural characterization of an ECF-type ABC transporter for vitamin B12. Elife, 7, 2018
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1XA8
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![BU of 1xa8 by Molmil](/molmil-images/mine/1xa8) | Crystal Structure Analysis of Glutathione-dependent formaldehyde-activating enzyme (Gfa) | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, ... | Authors: | Neculai, A.M, Neculai, D, Griesinger, C, Vorholt, J.A, Becker, S. | Deposit date: | 2004-08-25 | Release date: | 2004-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A dynamic zinc redox switch J.Biol.Chem., 280, 2005
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3OV6
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![BU of 3ov6 by Molmil](/molmil-images/mine/3ov6) | CD1c in complex with MPM (mannosyl-beta1-phosphomycoketide) | Descriptor: | 1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Scharf, L, Li, N.S, Hawk, A.J, Garzon, D, Zhang, T, Kazen, A.R, Shah, S, Haddadian, E.J, Saghatelian, A, Faraldo-Gomez, J.D, Meredith, S.C, Piccirilli, J.A, Adams, E.J. | Deposit date: | 2010-09-15 | Release date: | 2011-01-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | The 2.5 A structure of CD1c in complex with a mycobacterial lipid reveals an open groove ideally suited for diverse antigen presentation Immunity, 33, 2010
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6BSZ
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![BU of 6bsz by Molmil](/molmil-images/mine/6bsz) | Human mGlu8 Receptor complexed with glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 8, ... | Authors: | Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J. | Deposit date: | 2017-12-04 | Release date: | 2018-02-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity. Bioorg. Med. Chem. Lett., 28, 2018
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6BTK
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![BU of 6btk by Molmil](/molmil-images/mine/6btk) | |
2W11
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![BU of 2w11 by Molmil](/molmil-images/mine/2w11) | Structure of the L-2-haloacid dehalogenase from Sulfolobus tokodaii | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 2-HALOALKANOIC ACID DEHALOGENASE | Authors: | Rye, C.A, Isupov, M.N, Lebedev, A.A, Littlechild, J.A. | Deposit date: | 2008-10-13 | Release date: | 2008-12-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biochemical and Structural Studies of a L-Haloacid Dehalogenase from the Thermophilic Archaeon Sulfolobus Tokodaii. Extremophiles, 13, 2009
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3P2Q
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![BU of 3p2q by Molmil](/molmil-images/mine/3p2q) | Crystal structure of the fluoroacetyl-CoA-specific thioesterase, FlK | Descriptor: | Fluoroacetyl coenzyme A thioesterase | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | Deposit date: | 2010-10-03 | Release date: | 2010-10-20 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity. Biochemistry, 49, 2010
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3P3F
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![BU of 3p3f by Molmil](/molmil-images/mine/3p3f) | Crystal structure of the F36A mutant of the fluoroacetyl-CoA-specific thioesterase FlK | Descriptor: | Fluoroacetyl coenzyme A thioesterase | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | Deposit date: | 2010-10-04 | Release date: | 2010-10-20 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity. Biochemistry, 49, 2010
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6BZM
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![BU of 6bzm by Molmil](/molmil-images/mine/6bzm) | GFGNFGTS from low-complexity/FG repeat domain of Nup98, residues 116-123 | Descriptor: | Nuclear pore complex protein Nup98-Nup96 | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Chong, L, Gonen, T, Eisenberg, D.S. | Deposit date: | 2017-12-24 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (0.9 Å) | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks. Science, 359, 2018
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6FFI
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![BU of 6ffi by Molmil](/molmil-images/mine/6ffi) | Crystal Structure of mGluR5 in complex with MMPEP at 2.2 A | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ... | Authors: | Christopher, J.A, Orgovan, Z, Congreve, M, Dore, A.S, Errey, J.C, Marshall, F.H, Mason, J.S, Okrasa, K, Rucktooa, P, Serrano-Vega, M.J, Ferenczy, G.G, Keseru, G.M. | Deposit date: | 2018-01-08 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures. J.Med.Chem., 62, 2019
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3P93
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![BU of 3p93 by Molmil](/molmil-images/mine/3p93) | Crystal structure of D-mannonate dehydratase from Chromohalobacter Salexigens complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, D-MANNONIC ACID, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-10-15 | Release date: | 2011-10-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE FROM CHROMOHALOBACTER SALEXIGENS complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate To be Published
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1YPT
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![BU of 1ypt by Molmil](/molmil-images/mine/1ypt) | CRYSTAL STRUCTURE OF YERSINIA PROTEIN TYROSINE PHOSPHATASE AT 2.5 ANGSTROMS AND THE COMPLEX WITH TUNGSTATE | Descriptor: | PROTEIN-TYROSINE PHOSPHATASE YERSINIA (CATALYTIC DOMAIN) | Authors: | Stuckey, J.A, Schubert, H.L, Fauman, E.B, Zhang, Z.-Y, Dixon, J.E, Saper, M.A. | Deposit date: | 1994-09-16 | Release date: | 1994-12-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Yersinia protein tyrosine phosphatase at 2.5 A and the complex with tungstate. Nature, 370, 1994
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6FZR
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![BU of 6fzr by Molmil](/molmil-images/mine/6fzr) | Crystal structure of scFv-SM3 in complex with compound 2 | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | Authors: | Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F. | Deposit date: | 2018-03-15 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition. J.Am.Chem.Soc., 140, 2018
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6C7L
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![BU of 6c7l by Molmil](/molmil-images/mine/6c7l) | Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in a tetragonal crystal form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Jones, J.A, Larson, S.B, McPherson, A. | Deposit date: | 2018-01-22 | Release date: | 2019-02-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states. Acta Crystallogr F Struct Biol Commun, 75, 2019
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6C7Q
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![BU of 6c7q by Molmil](/molmil-images/mine/6c7q) | BRD4 BD2 in complex with compound CE277 | Descriptor: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-01-23 | Release date: | 2018-08-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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3OWX
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![BU of 3owx by Molmil](/molmil-images/mine/3owx) | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | Descriptor: | 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2010-09-20 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors. Protein Sci., 20, 2011
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1O93
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![BU of 1o93 by Molmil](/molmil-images/mine/1o93) | Methionine Adenosyltransferase complexed with ATP and a L-methionine analogue | Descriptor: | (2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J. | Deposit date: | 2002-12-10 | Release date: | 2003-08-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism J.Mol.Biol., 331, 2003
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6C4G
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![BU of 6c4g by Molmil](/molmil-images/mine/6c4g) | Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601) | 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: | Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F. | Deposit date: | 2018-01-11 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics. Eur J Med Chem, 154, 2018
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6BXX
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![BU of 6bxx by Molmil](/molmil-images/mine/6bxx) | GYNGFG from low-complexity domain of hnRNPA1, residues 243-248 | Descriptor: | hnRNPA1 | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Gonen, T, Eisenberg, D.S. | Deposit date: | 2017-12-19 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks. Science, 359, 2018
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6FZS
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![BU of 6fzs by Molmil](/molmil-images/mine/6fzs) | Crystal structure of Smad5-MH1 bound to the GGCGC site. | Descriptor: | DNA (5'-D(P*TP*GP*CP*AP*GP*GP*CP*GP*CP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 5, ZINC ION | Authors: | Kaczmarska, Z, Marquez, J.A, Macias, M.J. | Deposit date: | 2018-03-15 | Release date: | 2019-10-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Unveiling the dimer/monomer propensities of Smad MH1-DNA complexes Computational and Structural Biotechnology Journal, 19, 2021
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6GCV
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![BU of 6gcv by Molmil](/molmil-images/mine/6gcv) | Ligand binding domain (LBD) of the p. aeruginosa nitrate receptor McpN | Descriptor: | ACETATE ION, Chemotaxis transducer, NITRATE ION, ... | Authors: | Gavira, J.A, Krell, T, Martin-Mora, D, Ortega, A. | Deposit date: | 2018-04-19 | Release date: | 2018-09-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Molecular Mechanism of Nitrate Chemotaxis via Direct Ligand Binding to the PilJ Domain of McpN. MBio, 10, 2019
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6C7R
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![BU of 6c7r by Molmil](/molmil-images/mine/6c7r) | BRD4 BD1 in complex with compound CF53 | Descriptor: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-01-23 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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