5KRK
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![BU of 5krk by Molmil](/molmil-images/mine/5krk) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((5-bromo-2,3-dihydro-1H-inden-1-ylidene)methylene)diphenol | Descriptor: | 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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4RM7
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![BU of 4rm7 by Molmil](/molmil-images/mine/4rm7) | |
4RMG
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![BU of 4rmg by Molmil](/molmil-images/mine/4rmg) | Human Sirt2 in complex with SirReal2 and NAD+ | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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1SRV
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![BU of 1srv by Molmil](/molmil-images/mine/1srv) | THERMUS THERMOPHILUS GROEL (HSP60 CLASS) FRAGMENT (APICAL DOMAIN) COMPRISING RESIDUES 192-336 | Descriptor: | PROTEIN (GROEL (HSP60 CLASS)) | Authors: | Walsh, M.A, Dementieva, I, Evans, G, Sanishvili, R, Joachimiak, A. | Deposit date: | 1999-03-02 | Release date: | 1999-03-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Taking MAD to the extreme: ultrafast protein structure determination. Acta Crystallogr.,Sect.D, 55, 1999
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1SSZ
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![BU of 1ssz by Molmil](/molmil-images/mine/1ssz) | Conformational Mapping of Mini-B: An N-terminal/C-terminal Construct of Surfactant Protein B Using 13C-Enhanced Fourier Transform Infrared (FTIR) Spectroscopy | Descriptor: | Pulmonary surfactant-associated protein B | Authors: | Waring, A.J, Walther, F.J, Gordon, L.M, Hernandez-Juviel, J.M, Hong, T, Sherman, M.A, Alonso, C, Alig, T, Braun, A, Bacon, D, Zasadzinski, J.A. | Deposit date: | 2004-03-24 | Release date: | 2004-06-15 | Last modified: | 2019-04-24 | Method: | INFRARED SPECTROSCOPY | Cite: | The role of charged amphipathic helices in the structure and function of surfactant protein B. J.Pept.Res., 66, 2005
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4RSP
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3EVS
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![BU of 3evs by Molmil](/molmil-images/mine/3evs) | Crystal structure of the GDF-5:BMP receptor IB complex. | Descriptor: | Bone morphogenetic protein receptor type-1B, Growth/differentiation factor 5 | Authors: | Kotzsch, A, Mueller, T.D. | Deposit date: | 2008-10-13 | Release date: | 2009-03-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure analysis reveals a spring-loaded latch as molecular mechanism for GDF-5-type I receptor specificity. Embo J., 28, 2009
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2IF9
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3EYD
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![BU of 3eyd by Molmil](/molmil-images/mine/3eyd) | Structure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic Acid | Descriptor: | HCV NS3, HCV NS4a peptide, ZINC ION, ... | Authors: | Venkatraman, S, Wu, W, Prongay, A.J, Girijavallabhan, V, Njoroge, F.G. | Deposit date: | 2008-10-20 | Release date: | 2009-02-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent inhibitors of HCV-NS3 protease derived from boronic acids. Bioorg.Med.Chem.Lett., 19, 2009
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2IVI
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![BU of 2ivi by Molmil](/molmil-images/mine/2ivi) | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- methyl-cyclopropylglycine Fe Complex) | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Elkins, J.M, Howard-Jones, A.R, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2006-06-13 | Release date: | 2007-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight. Biochemistry, 46, 2007
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3EW2
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![BU of 3ew2 by Molmil](/molmil-images/mine/3ew2) | Crystal structure of rhizavidin-biotin complex | Descriptor: | BIOTIN, rhizavidin | Authors: | Livnah, O, Meir, A. | Deposit date: | 2008-10-14 | Release date: | 2008-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of rhizavidin: insights into the enigmatic high-affinity interaction of an innate biotin-binding protein dimer. J.Mol.Biol., 386, 2009
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4S1Z
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![BU of 4s1z by Molmil](/molmil-images/mine/4s1z) | Crystal structure of TRABID NZF1 in complex with K29 linked di-Ubiquitin | Descriptor: | Ubiquitin, Ubiquitin thioesterase ZRANB1, ZINC ION | Authors: | Kristariyanto, Y.A, Abdul Rehman, S.A, Campbell, D.G, Morrice, N.A, Johnson, C, Toth, R, Kulathu, Y. | Deposit date: | 2015-01-16 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | K29-selective ubiquitin binding domain reveals structural basis of specificity and heterotypic nature of k29 polyubiquitin. Mol.Cell, 58, 2015
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4S39
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![BU of 4s39 by Molmil](/molmil-images/mine/4s39) | IspG in complex with HMBPP | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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3F06
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![BU of 3f06 by Molmil](/molmil-images/mine/3f06) | Crystal Structure Analysis of Human HDAC8 D101A Variant. | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, BETA-MERCAPTOETHANOL, Histone deacetylase 8, ... | Authors: | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | Deposit date: | 2008-10-24 | Release date: | 2008-12-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors. Biochemistry, 47, 2008
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3F3A
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![BU of 3f3a by Molmil](/molmil-images/mine/3f3a) | Crystal Structure of LeuT bound to L-Tryptophan and Sodium | Descriptor: | SODIUM ION, TETRADECANE, TRYPTOPHAN, ... | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | Deposit date: | 2008-10-30 | Release date: | 2008-12-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation. Science, 322, 2008
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3F12
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![BU of 3f12 by Molmil](/molmil-images/mine/3f12) | Germline V-genes sculpt the binding site of a family of antibodies neutralizing human cytomegalovirus | Descriptor: | 8f9 Fab, M2J1 Fab | Authors: | Thomson, C.A, Bryson, S, McLean, G.R, Creagh, A.L, Pai, E.F, Schrader, J.W. | Deposit date: | 2008-10-27 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Germline V-genes sculpt the binding site of a family of antibodies neutralizing human cytomegalovirus. Embo J., 27, 2008
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6J7N
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![BU of 6j7n by Molmil](/molmil-images/mine/6j7n) | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A co-expressed with TakA from Mycobacterium tuberculosis | Descriptor: | MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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4QU3
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![BU of 4qu3 by Molmil](/molmil-images/mine/4qu3) | GES-2 ertapenem acyl-enzyme complex | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase GES-2, ... | Authors: | Stewart, N.K, Smith, C.A, Frase, H, Black, D.J, Vakulenko, S.B. | Deposit date: | 2014-07-10 | Release date: | 2014-12-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases. Biochemistry, 54, 2015
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3EJM
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![BU of 3ejm by Molmil](/molmil-images/mine/3ejm) | Crystal structure of the mimivirus NDK +Kpn mutant complexed with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | Deposit date: | 2008-09-18 | Release date: | 2009-08-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase. J.Virol., 83, 2009
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8QT6
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1T7Y
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![BU of 1t7y by Molmil](/molmil-images/mine/1t7y) | Zn-alpha-2-glycoprotein; baculo-ZAG PEG 200, no glycerol | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zinc-alpha-2-glycoprotein | Authors: | Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J. | Deposit date: | 2004-05-11 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein. J.Struct.Biol., 148, 2004
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8QT9
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![BU of 8qt9 by Molmil](/molmil-images/mine/8qt9) | Cryo-EM structure of stably reduced Streptococcus pneumoniae NADPH oxidase in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FAD-binding FR-type domain-containing protein, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Dubach, V.R.A, San Segundo-Acosta, P, Murphy, B.J. | Deposit date: | 2023-10-12 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.36 Å) | Cite: | Structural and mechanistic insight into Streptococcus pneumoniae NADPH oxidase To Be Published, 2024
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5K3X
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![BU of 5k3x by Molmil](/molmil-images/mine/5k3x) | Crystal Structure of the sulfite dehydrogenase, SorT R78K mutant from Sinorhizobium meliloti | Descriptor: | (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, GLYCEROL, Putative sulfite oxidase | Authors: | Lee, M, McGrath, A, Maher, M. | Deposit date: | 2016-05-20 | Release date: | 2017-05-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The central active site arginine in sulfite oxidizing enzymes alters kinetic properties by controlling electron transfer and redox interactions. Biochim. Biophys. Acta, 1859, 2017
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6IVQ
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![BU of 6ivq by Molmil](/molmil-images/mine/6ivq) | Crystal structure of a membrane protein S19A | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | Deposit date: | 2018-12-04 | Release date: | 2019-11-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations. Commun Biol, 2, 2019
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6IMV
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![BU of 6imv by Molmil](/molmil-images/mine/6imv) | The complex structure of endo-beta-1,2-glucanase from Talaromyces funiculosus with sophorose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tanaka, N, Nakajima, M, Narukawa-Nara, M, Matsunaga, H, Kamisuki, S, Aramasa, H, Takahashi, Y, Sugimoto, N, Abe, K, Miyanaga, A, Yamashita, T, Sugawara, F, Kamakura, T, Komba, S, Nakai, H, Taguchi, H. | Deposit date: | 2018-10-23 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification, characterization, and structural analyses of a fungal endo-beta-1,2-glucanase reveal a new glycoside hydrolase family. J.Biol.Chem., 294, 2019
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