6QE4
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![BU of 6qe4 by Molmil](/molmil-images/mine/6qe4) | Re-refinement of 5OLI human IBA57-I3C | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Putative transferase CAF17, mitochondrial | Authors: | Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L, Nasta, V. | Deposit date: | 2019-01-04 | Release date: | 2019-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity. Acta Crystallogr D Struct Biol, 75, 2019
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6QE3
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![BU of 6qe3 by Molmil](/molmil-images/mine/6qe3) | Re-refinement of 6ESR human IBA57 at 1.75 A resolution | Descriptor: | Putative transferase CAF17, mitochondrial | Authors: | Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L. | Deposit date: | 2019-01-04 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity. Acta Crystallogr D Struct Biol, 75, 2019
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7B2H
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![BU of 7b2h by Molmil](/molmil-images/mine/7b2h) | Crystal structure of the methyl-coenzyme M reductase from Methanothermobacter Marburgensis derivatized with xenon | Descriptor: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Wagner, T, Lemaire, O.N, Engilberge, S. | Deposit date: | 2020-11-27 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of a key enzyme for anaerobic ethane activation. Science, 373, 2021
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2VPY
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![BU of 2vpy by Molmil](/molmil-images/mine/2vpy) | Polysulfide reductase with bound quinone inhibitor, pentachlorophenol (PCP) | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, HYPOTHETICAL MEMBRANE SPANNING PROTEIN, IRON/SULFUR CLUSTER, ... | Authors: | Jormakka, M, Yokoyama, K, Yano, T, Tamakoshi, M, Akimoto, S, Shimamura, T, Curmi, P, Iwata, S. | Deposit date: | 2008-03-09 | Release date: | 2008-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Mechanism of Energy Conservation in Polysulfide Respiration. Nat.Struct.Mol.Biol., 15, 2008
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5YWX
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![BU of 5ywx by Molmil](/molmil-images/mine/5ywx) | Crystal structure of hematopoietic prostaglandin D synthase in complex with F092 | Descriptor: | GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ... | Authors: | Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Omura, A, Tanaka, A. | Deposit date: | 2017-11-30 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies. Bioorg. Med. Chem., 26, 2018
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2OTY
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![BU of 2oty by Molmil](/molmil-images/mine/2oty) | 1,2-dichlorobenzene in complex with T4 Lysozyme L99A | Descriptor: | 1,2-DICHLOROBENZENE, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Graves, A.P, Shoichet, B.K. | Deposit date: | 2007-02-09 | Release date: | 2007-08-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Predicting absolute ligand binding free energies to a simple model site. J.Mol.Biol., 371, 2007
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4ZET
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![BU of 4zet by Molmil](/molmil-images/mine/4zet) | Blood dendritic cell antigen 2 (BDCA-2) complexed with GalGlcNAcMan | Descriptor: | C-type lectin domain family 4 member C, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose | Authors: | Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E. | Deposit date: | 2015-04-20 | Release date: | 2015-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2. J.Biol.Chem., 290, 2015
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4YOM
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![BU of 4yom by Molmil](/molmil-images/mine/4yom) | Structure of SAD kinase | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase BRSK2 | Authors: | Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W. | Deposit date: | 2015-03-12 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural insight into the mechanism of synergistic autoinhibition of SAD kinases Nat Commun, 6, 2015
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2OTZ
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2VPX
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![BU of 2vpx by Molmil](/molmil-images/mine/2vpx) | Polysulfide reductase with bound quinone (UQ1) | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, HYPOTHETICAL MEMBRANE SPANNING PROTEIN, IRON/SULFUR CLUSTER, ... | Authors: | Jormakka, M, Yokoyama, K, Yano, T, Tamakoshi, M, Akimoto, S, Shimamura, T, Curmi, P, Iwata, S. | Deposit date: | 2008-03-09 | Release date: | 2008-06-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Molecular Mechanism of Energy Conservation in Polysulfide Respiration. Nat.Struct.Mol.Biol., 15, 2008
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4ZES
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![BU of 4zes by Molmil](/molmil-images/mine/4zes) | Blood dendritic cell antigen 2 (BDCA-2) complexed with methyl-mannoside | Descriptor: | C-type lectin domain family 4 member C, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E. | Deposit date: | 2015-04-20 | Release date: | 2015-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2. J.Biol.Chem., 290, 2015
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2YL3
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![BU of 2yl3 by Molmil](/molmil-images/mine/2yl3) | CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16G VARIANT AT 1.04 A RESOLUTION - RESTRAINT REFINED | Descriptor: | CARBON MONOXIDE, CYTOCHROME C', HEME C, ... | Authors: | Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S. | Deposit date: | 2011-05-31 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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2YLD
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![BU of 2yld by Molmil](/molmil-images/mine/2yld) | RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A | Descriptor: | ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ... | Authors: | Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S. | Deposit date: | 2011-06-02 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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2YKZ
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2YL0
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2YL7
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![BU of 2yl7 by Molmil](/molmil-images/mine/2yl7) | CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16G VARIANT AT 0.9 A RESOLUTION - RESTRAINT REFINEMENT | Descriptor: | CARBON MONOXIDE, CYTOCHROME C', HEME C | Authors: | Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S. | Deposit date: | 2011-05-31 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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2YLG
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![BU of 2ylg by Molmil](/molmil-images/mine/2ylg) | CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: ASCORBATE AND CARBON MONOOXIDE BOUND L16A VARIANT AT 1.05 A RESOLUTION | Descriptor: | ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ... | Authors: | Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S. | Deposit date: | 2011-06-02 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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2OU0
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2L0X
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![BU of 2l0x by Molmil](/molmil-images/mine/2l0x) | Solution structure of the 21 kDa GTPase RHEB bound to GDP | Descriptor: | GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Stoll, R, Heumann, R, Berghaus, C, Kock, G. | Deposit date: | 2010-07-19 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Ras homolog enriched in brain (Rheb) enhances apoptotic signaling. J.Biol.Chem., 285, 2010
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2NDL
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![BU of 2ndl by Molmil](/molmil-images/mine/2ndl) | NMR solution structure of PawS Derived Peptide 22 (PDP-22) | Descriptor: | PawS derived peptide | Authors: | Franke, B, Jayasena, A.S, Fisher, M.F, Swedberg, J.E, Taylor, N.L, Mylne, J.S, Rosengren, K. | Deposit date: | 2016-07-17 | Release date: | 2016-12-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Diverse cyclic seed peptides in the Mexican zinnia (Zinnia haageana). Biopolymers, 106, 2016
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2LQ7
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![BU of 2lq7 by Molmil](/molmil-images/mine/2lq7) | |
4WBX
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![BU of 4wbx by Molmil](/molmil-images/mine/4wbx) | Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data | Descriptor: | 2-keto acid:ferredoxin oxidoreductase subunit alpha | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2014-09-04 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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4UXB
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![BU of 4uxb by Molmil](/molmil-images/mine/4uxb) | Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor PJ34 | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, POLY ADP-RIBOSE POLYMERASE 1, SULFATE ION | Authors: | Tresaugues, L, Thorsell, A.G, Karlberg, T, Schuler, H. | Deposit date: | 2014-08-21 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J. Med. Chem., 60, 2017
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8CGC
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![BU of 8cgc by Molmil](/molmil-images/mine/8cgc) | Structure of CSF1R in complex with a pyrollopyrimidine (compound 23) | Descriptor: | (2S)-2-hydroxybutanedioic acid, GLYCEROL, Macrophage colony-stimulating factor 1 receptor, ... | Authors: | Aarhus, T.I, Bjornstad, F, Wolowczyk, C, Larsen, K.U, Rognstad, L, Leithaug, T, Unger, A, Habenberger, P, Wolff, A, Bjorkoy, G, Pridans, C, Eickhoff, J, Klebl, B, Hoff, B.H, Sundby, E. | Deposit date: | 2023-02-03 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.925 Å) | Cite: | Synthesis and Development of Highly Selective Pyrrolo[2,3- d ]pyrimidine CSF1R Inhibitors Targeting the Autoinhibited Form. J.Med.Chem., 66, 2023
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4ZNN
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![BU of 4znn by Molmil](/molmil-images/mine/4znn) | MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56 | Descriptor: | Alpha-synuclein | Authors: | Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S. | Deposit date: | 2015-05-05 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON CRYSTALLOGRAPHY (1.41 Å) | Cite: | Structure of the toxic core of alpha-synuclein from invisible crystals. Nature, 525, 2015
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