5ARG
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![BU of 5arg by Molmil](/molmil-images/mine/5arg) | SMYD2 in complex with SGC probe BAY-598 | Descriptor: | GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ... | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | Deposit date: | 2015-09-24 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. J.Med.Chem., 59, 2016
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5B4V
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![BU of 5b4v by Molmil](/molmil-images/mine/5b4v) | Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate | Descriptor: | 3-hydroxybutyrate dehydrogenase, CHLORIDE ION, METHYLMALONIC ACID, ... | Authors: | Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. | Deposit date: | 2016-04-19 | Release date: | 2016-08-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase Acta Crystallogr.,Sect.F, 72, 2016
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5B56
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![BU of 5b56 by Molmil](/molmil-images/mine/5b56) | Crystal structure of HIV-1 VPR C-Terminal domain and DIBB-M-Importin-Alpha2 complex | Descriptor: | Importin subunit alpha-1, Protein Vpr | Authors: | Miyatake, H, Sanjoh, A, Matusda, G, Murakami, T, Murakami, H, Hagiwara, K, Yokoyama, M, Sato, H, Miyamoto, Y, Dohmae, N, Aida, Y. | Deposit date: | 2016-04-25 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Mechanism of HIV-1 Vpr for Binding to Importin-alpha J.Mol.Biol., 428, 2016
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5BN7
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![BU of 5bn7 by Molmil](/molmil-images/mine/5bn7) | Crystal structure of maltodextrin glucosidase from E.coli at 3.7 A resolution | Descriptor: | Maltodextrin glucosidase | Authors: | Shukla, P.K, Pastor, A, Singh, A.K, Sharma, S, Singh, T.P, Chaudhuri, T.K. | Deposit date: | 2015-05-25 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Role of N-terminal region of Escherichia coli maltodextrin glucosidase in folding and function of the protein Biochim.Biophys.Acta, 1864, 2016
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5B66
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![BU of 5b66 by Molmil](/molmil-images/mine/5b66) | Crystal structure analysis of Photosystem II complex | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Tanaka, A, Fukushima, Y, Kamiya, N. | Deposit date: | 2016-05-25 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Two Different Structures of the Oxygen-Evolving Complex in the Same Polypeptide Frameworks of Photosystem II J. Am. Chem. Soc., 139, 2017
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5APC
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![BU of 5apc by Molmil](/molmil-images/mine/5apc) | Hen Egg White Lysozyme illuminated with 0.4THz radiation | Descriptor: | LYSOZYME C, SODIUM ION | Authors: | Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G. | Deposit date: | 2015-09-15 | Release date: | 2016-01-13 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal Struct.Dyn., 2, 2015
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5AQ1
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![BU of 5aq1 by Molmil](/molmil-images/mine/5aq1) | Trypanosoma cruzi Glucose-6-phosphate Dehydrogenase in complex with G6P and NADPH | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, GLUCOSE-6-PHOSPHATE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mercaldi, G.F, Dawson, A, Hunter, W.N, Cordeiro, A.T. | Deposit date: | 2015-09-18 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The Structure of a Trypanosoma Cruzi Glucose-6-Phosphate Dehydrogenase Reveals Differences from the Mammalian Enzyme. FEBS Lett., 590, 2016
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5AVW
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![BU of 5avw by Molmil](/molmil-images/mine/5avw) | Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 16.5 min | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. | Deposit date: | 2015-07-01 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
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5AW8
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![BU of 5aw8 by Molmil](/molmil-images/mine/5aw8) | Kinetics by X-ray crystallography: E2.MgF42-.2RB+ crystal | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. | Deposit date: | 2015-07-01 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
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5BK5
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![BU of 5bk5 by Molmil](/molmil-images/mine/5bk5) | Crystal structure of the anti-circumsporozoite protein 663 germline antibody | Descriptor: | 663 germline antibody, heavy chain, light chain, ... | Authors: | Scally, S.W, Bosch, A, Triller, G, Wardemann, H, Julien, J.P. | Deposit date: | 2017-09-12 | Release date: | 2017-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies. Immunity, 47, 2017
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5BO4
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![BU of 5bo4 by Molmil](/molmil-images/mine/5bo4) | Structure of SOCS2:Elongin C:Elongin B from DMSO-treated crystals | Descriptor: | Suppressor of cytokine signaling 2, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2 | Authors: | Gadd, M.S, Bulatov, E, Ciulli, A. | Deposit date: | 2015-05-27 | Release date: | 2015-07-08 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Serendipitous SAD Solution for DMSO-Soaked SOCS2-ElonginC-ElonginB Crystals Using Covalently Incorporated Dimethylarsenic: Insights into Substrate Receptor Conformational Flexibility in Cullin RING Ligases. Plos One, 10, 2015
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5AZS
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![BU of 5azs by Molmil](/molmil-images/mine/5azs) | |
5ARN
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![BU of 5arn by Molmil](/molmil-images/mine/5arn) | Cu(I)-CSP3 (COPPER STORAGE PROTEIN 3) FROM METHYLOSINUS | Descriptor: | COPPER (I) ION, CSP3 | Authors: | Vita, N, Landolfi, G, Basle, A, Platsaki, S, Waldron, K, Dennison, C. | Deposit date: | 2015-09-25 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel Cytosolic Copper Storage Proteins To be Published
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5B4T
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![BU of 5b4t by Molmil](/molmil-images/mine/5b4t) | Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate | Descriptor: | (3R)-3-hydroxybutanoic acid, 3-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. | Deposit date: | 2016-04-19 | Release date: | 2016-08-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase Acta Crystallogr.,Sect.F, 72, 2016
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5B5H
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![BU of 5b5h by Molmil](/molmil-images/mine/5b5h) | Hydrophobic ice-binding site confer hyperactivity on antifreeze protein from a snow mold fungus | Descriptor: | Antifreeze protein, SODIUM ION, SULFATE ION | Authors: | Cheng, J, Hanada, Y, Miura, A, Tsuda, S, Kondo, H. | Deposit date: | 2016-05-06 | Release date: | 2016-09-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Hydrophobic ice-binding sites confer hyperactivity of an antifreeze protein from a snow mold fungus. Biochem.J., 473, 2016
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5B1A
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![BU of 5b1a by Molmil](/molmil-images/mine/5b1a) | Bovine heart cytochrome c oxidase in the fully oxidized state at 1.5 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Yano, N, Muramoto, K, Shimada, A, Takemura, S, Baba, J, Fujisawa, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Yoshikawa, S. | Deposit date: | 2015-12-01 | Release date: | 2016-09-14 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Mg2+-containing Water Cluster of Mammalian Cytochrome c Oxidase Collects Four Pumping Proton Equivalents in Each Catalytic Cycle. J.Biol.Chem., 291, 2016
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5BPK
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![BU of 5bpk by Molmil](/molmil-images/mine/5bpk) | Varying binding modes of inhibitors and structural differences in the binding pockets of different gamma-glutamyltranspeptidases | Descriptor: | (2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid, 1,2-ETHANEDIOL, Gamma-glutamyltranspeptidase (Ggt) | Authors: | Bolz, C, Bach, N.C, Meyer, H, Mueller, G, Dawidowski, M, Popowicz, G, Sieber, S.A, Skerra, A, Gerhard, M. | Deposit date: | 2015-05-28 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Varying binding modes of inhibitors and structural differences in the binding pockets of different gamma-glutamyltranspeptidases To Be Published
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5B48
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![BU of 5b48 by Molmil](/molmil-images/mine/5b48) | 2-Oxoacid:Ferredoxin Oxidoreductase 1 from Sulfolobus tokodai | Descriptor: | 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-oxoacid--ferredoxin oxidoreductase alpha subunit, 2-oxoacid--ferredoxin oxidoreductase beta subunit, ... | Authors: | Yan, Z, Maruyama, A, Arakawa, T, Fushinobu, S, Wakagi, T. | Deposit date: | 2016-04-01 | Release date: | 2016-09-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii Sci Rep, 6, 2016
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5BK0
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![BU of 5bk0 by Molmil](/molmil-images/mine/5bk0) | Crystal structure of 663 Fab bound to circumsporozoite protein NANP 5-mer | Descriptor: | 663 Antibody, heavy chain, light chain, ... | Authors: | Scally, S.W, Bosch, A, Triller, G, Wardemann, H, Julien, J.P. | Deposit date: | 2017-09-12 | Release date: | 2017-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies. Immunity, 47, 2017
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5BMQ
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![BU of 5bmq by Molmil](/molmil-images/mine/5bmq) | Crystal structure of L,D-transpeptidase (Yku) from Stackebrandtia nassauensis | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ErfK/YbiS/YcfS/YnhG family protein, GLYCEROL, ... | Authors: | Chang, C, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-05-22 | Release date: | 2015-06-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of L,D-transpeptidases (Yku) To be Published
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5BOK
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![BU of 5bok by Molmil](/molmil-images/mine/5bok) | |
5BP8
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![BU of 5bp8 by Molmil](/molmil-images/mine/5bp8) | ent-Copalyl diphosphate synthase from Streptomyces platensis | Descriptor: | 1,2-ETHANEDIOL, Ent-copalyl diphosphate synthase, SULFATE ION | Authors: | Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Ma, M, Chang, C.-Y, Shen, B, Joachimiak, A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-05-27 | Release date: | 2015-06-10 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the ent-Copalyl Diphosphate Synthase PtmT2 from Streptomyces platensis CB00739, a Bacterial Type II Diterpene Synthase. J.Am.Chem.Soc., 138, 2016
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5BPV
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![BU of 5bpv by Molmil](/molmil-images/mine/5bpv) | Crystal Structure of Zaire ebolavirus VP35 RNA binding domain mutant I278A | Descriptor: | Polymerase cofactor VP35 | Authors: | Fadda, V, Cannas, V, Zinzula, L, Distinto, S, Daino, G.L, Bianco, G, Corona, A, Esposito, F, Alcaro, S, Maccioni, E, Tramontano, E, Taylor, G.L. | Deposit date: | 2015-05-28 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Crystal Structure of Zaire ebolavirus VP35 RNA binding domain mutant I278A to be published
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5B4U
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![BU of 5b4u by Molmil](/molmil-images/mine/5b4u) | Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor malonate | Descriptor: | 3-hydroxybutyrate dehydrogenase, CHLORIDE ION, MALONIC ACID, ... | Authors: | Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. | Deposit date: | 2016-04-19 | Release date: | 2016-08-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase Acta Crystallogr.,Sect.F, 72, 2016
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5BRZ
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![BU of 5brz by Molmil](/molmil-images/mine/5brz) | MAGE-A3 reactive TCR in complex with MAGE-A3 in HLA-A1 | Descriptor: | Beta-2-microglobulin, GLU-VAL-ASP-PRO-ILE-GLY-HIS-LEU-TYR, HLA class I histocompatibility antigen, ... | Authors: | Raman, M.C.C, Rizkallah, P.J, Simmons, R, Donnellan, Z, Dukes, J, Bossi, G, LeProvost, G, Mahon, T, Hickman, E, LomaX, M, Oates, J, Hassan, N, Vuidepot, A, Sami, M, Cole, D.K, Jakobsen, B.K. | Deposit date: | 2015-06-01 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Direct molecular mimicry enables off-target cardiovascular toxicity by an enhanced affinity TCR designed for cancer immunotherapy. Sci Rep, 6, 2016
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