5HLT
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![BU of 5hlt by Molmil](/molmil-images/mine/5hlt) | Crystal structure of pyrene- and phenanthrene-modified DNA in complex with the BpuJ1 endonuclease binding domain | Descriptor: | DNA (5'-D(*GP*YPY*TP*AP*CP*CP*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*AP*CP*GP*GP*GP*TP*AP*YPY*C)-3'), Restriction endonuclease R.BpuJI | Authors: | Probst, M, Aeschimann, W, Chau, T.-T.-H, Langenegger, S.M, Stocker, A, Haener, R. | Deposit date: | 2016-01-15 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.672 Å) | Cite: | Structural insight into DNA-assembled oligochromophores: crystallographic analysis of pyrene- and phenanthrene-modified DNA in complex with BpuJI endonuclease. Nucleic Acids Res., 44, 2016
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5HI6
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![BU of 5hi6 by Molmil](/molmil-images/mine/5hi6) | The high resolution structure of dihydrofolate reductase from Yersinia pestis complex with methotrexate as closed form | Descriptor: | CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-11 | Release date: | 2016-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | The high resolution structure of dihydrofolate reductase from Yersinia pestis complex with methotrexate as closed form To Be Published
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5H6Z
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![BU of 5h6z by Molmil](/molmil-images/mine/5h6z) | Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe | Descriptor: | AMMONIUM ION, DI(HYDROXYETHYL)ETHER, SET domain-containing protein 7, ... | Authors: | Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E. | Deposit date: | 2016-11-15 | Release date: | 2017-11-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis. Structure, 27, 2019
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4UHB
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![BU of 4uhb by Molmil](/molmil-images/mine/4uhb) | Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1 | Descriptor: | 1,2-ETHANEDIOL, EPOXIDE HYDROLASE, GLYCEROL | Authors: | Nilsson, M.T.I, Carlsson, A.J, Dobritzsch, D, Widersten, M. | Deposit date: | 2015-03-23 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis. Chembiochem, 17, 2016
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4UMY
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![BU of 4umy by Molmil](/molmil-images/mine/4umy) | IDH1 R132H in complex with cpd 1 | Descriptor: | GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | McLean, L, Zhang, Y, Mathieu, M. | Deposit date: | 2014-05-22 | Release date: | 2014-11-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
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4UPV
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![BU of 4upv by Molmil](/molmil-images/mine/4upv) | Low X-ray dose structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | Deposit date: | 2014-06-18 | Release date: | 2014-10-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states. J. Biol. Inorg. Chem., 20, 2015
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4UF2
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![BU of 4uf2 by Molmil](/molmil-images/mine/4uf2) | Deerpox virus DPV022 in complex with Bax BH3 | Descriptor: | Antiapoptotic membrane protein, Apoptosis regulator BAX | Authors: | Burton, D.R, Kvansakul, M. | Deposit date: | 2014-12-23 | Release date: | 2015-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis. Acta Crystallogr.,Sect.D, 71, 2015
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4UF3
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![BU of 4uf3 by Molmil](/molmil-images/mine/4uf3) | Deerpox virus DPV022 in complex with Bim BH3 | Descriptor: | Antiapoptotic membrane protein, Bcl-2-like protein 11 | Authors: | Burton, D.R, Kvansakul, M. | Deposit date: | 2014-12-23 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis. Acta Crystallogr.,Sect.D, 71, 2015
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4UPE
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![BU of 4upe by Molmil](/molmil-images/mine/4upe) | Structure of the unready Ni-A state of the S499C mutant of D. fructosovorans NiFe-hydrogenase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, ... | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | Deposit date: | 2014-06-16 | Release date: | 2014-10-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states. J. Biol. Inorg. Chem., 20, 2015
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4USE
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![BU of 4use by Molmil](/molmil-images/mine/4use) | Human STK10 (LOK) with SB-633825 | Descriptor: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2014-07-07 | Release date: | 2015-07-22 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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4UW6
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![BU of 4uw6 by Molmil](/molmil-images/mine/4uw6) | Human galectin-7 in complex with a galactose based dendron D3 | Descriptor: | DENDRON-D3, GALECTIN-7 | Authors: | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | Deposit date: | 2014-08-08 | Release date: | 2014-11-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7. FEBS J., 282, 2015
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4WBQ
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![BU of 4wbq by Molmil](/molmil-images/mine/4wbq) | Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing. | Descriptor: | CALCIUM ION, QDE-2-interacting protein | Authors: | Boland, A, Weinert, T, Weichenrieder, O, Wang, M. | Deposit date: | 2014-09-03 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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4UVM
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![BU of 4uvm by Molmil](/molmil-images/mine/4uvm) | In meso crystal structure of the POT family transporter PepTSo | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, GLUTATHIONE UPTAKE TRANSPORTER | Authors: | Lyons, J.A, Solcan, N, Caffrey, M, Newstead, S. | Deposit date: | 2014-08-07 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Gating Topology of the Proton-Coupled Oligopeptide Symporters. Structure, 23, 2015
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4UT1
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![BU of 4ut1 by Molmil](/molmil-images/mine/4ut1) | |
4UW4
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![BU of 4uw4 by Molmil](/molmil-images/mine/4uw4) | Human galectin-7 in complex with a galactose based dendron D2-1. | Descriptor: | DENDRON D2-1, GALECTIN-7 | Authors: | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | Deposit date: | 2014-08-08 | Release date: | 2014-11-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.766 Å) | Cite: | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7. FEBS J., 282, 2015
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4V0I
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![BU of 4v0i by Molmil](/molmil-images/mine/4v0i) | Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W. | Deposit date: | 2014-09-16 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications. J.Chem.Inf.Model., 56, 2016
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4URH
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![BU of 4urh by Molmil](/molmil-images/mine/4urh) | High-resolution structure of partially oxidized D. fructosovorans NiFe-hydrogenase | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | Deposit date: | 2014-06-30 | Release date: | 2014-10-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states. J. Biol. Inorg. Chem., 20, 2015
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4V1O
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![BU of 4v1o by Molmil](/molmil-images/mine/4v1o) | Architecture of the RNA polymerase II-Mediator core transcription initiation complex | Descriptor: | DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ... | Authors: | Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P. | Deposit date: | 2014-09-29 | Release date: | 2015-02-04 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (9.7 Å) | Cite: | Architecture of the RNA Polymerase II-Mediator Core Initiation Complex. Nature, 518, 2015
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8WZT
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![BU of 8wzt by Molmil](/molmil-images/mine/8wzt) | SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 1 microsecond after photoexcitation at RT. | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T. | Deposit date: | 2023-11-02 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography. Nat Commun, 15, 2024
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6K7G
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![BU of 6k7g by Molmil](/molmil-images/mine/6k7g) | Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1 state class1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Cell cycle control protein 50A, ... | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O. | Deposit date: | 2019-06-07 | Release date: | 2019-08-28 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures capture the transport cycle of the P4-ATPase flippase. Science, 365, 2019
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6KJO
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![BU of 6kjo by Molmil](/molmil-images/mine/6kjo) | The microtubule-binding domains of yeast cytoplasmic dynein in the low affinity state | Descriptor: | Dynein heavy chain, cytoplasmic | Authors: | Nishida, N, Komori, Y, Takarada, O, Watanabe, A, Tamura, S, Kubo, S, Shimada, I, Kikkawa, M. | Deposit date: | 2019-07-22 | Release date: | 2020-03-18 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural basis for two-way communication between dynein and microtubules. Nat Commun, 11, 2020
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6KAV
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![BU of 6kav by Molmil](/molmil-images/mine/6kav) | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Light | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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8YHR
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![BU of 8yhr by Molmil](/molmil-images/mine/8yhr) | DHODH in complex with furocoumavirin | Descriptor: | 4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Hara, K, Okumura, H, Nakahara, M, Sato, M, Hashimoto, H, Osada, H, Watanabe, K. | Deposit date: | 2024-02-28 | Release date: | 2024-05-22 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Analyses of Inhibition of Human Dihydroorotate Dehydrogenase by Antiviral Furocoumavirin. Biochemistry, 63, 2024
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6KNF
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![BU of 6knf by Molmil](/molmil-images/mine/6knf) | CryoEM map and model of Nitrite Reductase at pH 6.2 | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase | Authors: | Adachi, N, Yamaguchi, T, Moriya, T, Kawasaki, M, Koiwai, K, Shinoda, A, Yamada, Y, Yumoto, F, Kohzuma, T, Senda, T. | Deposit date: | 2019-08-05 | Release date: | 2020-08-12 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | 2.85 and 2.99 angstrom resolution structures of 110 kDa nitrite reductase determined by 200 kV cryogenic electron microscopy. J.Struct.Biol., 213, 2021
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9EUU
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![BU of 9euu by Molmil](/molmil-images/mine/9euu) | Structure of recombinant alpha-synuclein fibrils 1B capable of seeding GCIs in vivo | Descriptor: | Alpha-synuclein | Authors: | Burger, D, Kashyrina, M, Lewis, A, De Nuccio, F, Mohammed, I, de La Seigliere, H, van den Heuvel, L, Feuillie, C, Verchere, J, Berbon, M, Arotcarena, M, Retailleau, A, Bezard, E, Laferriere, F, Loquet, A, Bousset, L, Baron, T, Lofrumento, D.D, De Giorgi, F, Stahlberg, H, Ichas, F. | Deposit date: | 2024-03-28 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (1.93 Å) | Cite: | Multiple System Atrophy: Insights from aSyn Fibril Structure To Be Published
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