6MCY
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![BU of 6mcy by Molmil](/molmil-images/mine/6mcy) | Crystal structure of mouse Bak | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M. | Deposit date: | 2018-09-03 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis. Nat.Chem.Biol., 15, 2019
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6MBD
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![BU of 6mbd by Molmil](/molmil-images/mine/6mbd) | Human Mcl-1 in complex with the designed peptide dM1 | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, dM1 | Authors: | Jenson, J.M, Keating, A.E. | Deposit date: | 2018-08-29 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1. Structure, 27, 2019
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5EZR
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![BU of 5ezr by Molmil](/molmil-images/mine/5ezr) | Crystal Structure of PVX_084705 bound to compound | Descriptor: | CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ... | Authors: | El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-26 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of PVX_084705 bound to compound To Be Published
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6MBC
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![BU of 6mbc by Molmil](/molmil-images/mine/6mbc) | Human Bfl-1 in complex with the designed peptide dF4 | Descriptor: | Bcl-2-related protein A1, dF4 | Authors: | Jenson, J.M, Keating, A.E. | Deposit date: | 2018-08-29 | Release date: | 2019-03-06 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1. Structure, 27, 2019
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6MER
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![BU of 6mer by Molmil](/molmil-images/mine/6mer) | PcdhgB3 EC1-4 in 50 mM HEPES | Descriptor: | CALCIUM ION, Protocadherin gamma-B3 | Authors: | Nicoludis, J.M, Gaudet, R. | Deposit date: | 2018-09-06 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Interaction specificity of clustered protocadherins inferred from sequence covariation and structural analysis. Proc.Natl.Acad.Sci.USA, 116, 2019
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6MFX
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![BU of 6mfx by Molmil](/molmil-images/mine/6mfx) | Crystal structure of a 4-domain construct of a mutant of LgrA in the substrate donation state | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Linear gramicidin synthase subunit A, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Reimer, J.M, Eivaskhani, M, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
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6ME5
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![BU of 6me5 by Molmil](/molmil-images/mine/6me5) | XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine | Descriptor: | OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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5BTL
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![BU of 5btl by Molmil](/molmil-images/mine/5btl) | Crystal structure of a topoisomerase II complex | Descriptor: | 1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | Deposit date: | 2015-06-03 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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6MFZ
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![BU of 6mfz by Molmil](/molmil-images/mine/6mfz) | Crystal structure of dimodular LgrA in a condensation state | Descriptor: | 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A | Authors: | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
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5BTC
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![BU of 5btc by Molmil](/molmil-images/mine/5btc) | Crystal structure of a topoisomerase II complex | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, DNA gyrase subunit A, DNA gyrase subunit B, ... | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | Deposit date: | 2015-06-02 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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5BQ5
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![BU of 5bq5 by Molmil](/molmil-images/mine/5bq5) | Crystal structure of the IstB AAA+ domain bound to ADP-BeF3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Insertion sequence IS5376 putative ATP-binding protein, ... | Authors: | Arias-Palomo, E, Berger, J.M. | Deposit date: | 2015-05-28 | Release date: | 2015-09-02 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An Atypical AAA+ ATPase Assembly Controls Efficient Transposition through DNA Remodeling and Transposase Recruitment. Cell, 162, 2015
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5BTF
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![BU of 5btf by Molmil](/molmil-images/mine/5btf) | Crystal structure of a topoisomerase II complex | Descriptor: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | Deposit date: | 2015-06-03 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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5BTD
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![BU of 5btd by Molmil](/molmil-images/mine/5btd) | Crystal structure of a topoisomerase II complex | Descriptor: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | Deposit date: | 2015-06-03 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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5BS8
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![BU of 5bs8 by Molmil](/molmil-images/mine/5bs8) | Crystal structure of a topoisomerase II complex | Descriptor: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | Deposit date: | 2015-06-01 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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5BTI
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![BU of 5bti by Molmil](/molmil-images/mine/5bti) | Crystal structure of a topoisomerase II complex | Descriptor: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | Deposit date: | 2015-06-03 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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5F2E
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![BU of 5f2e by Molmil](/molmil-images/mine/5f2e) | Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C | Descriptor: | 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ... | Authors: | Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y. | Deposit date: | 2015-12-01 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State. Cancer Discov, 6, 2016
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1FH3
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![BU of 1fh3 by Molmil](/molmil-images/mine/1fh3) | |
6MH4
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![BU of 6mh4 by Molmil](/molmil-images/mine/6mh4) | |
1FI2
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![BU of 1fi2 by Molmil](/molmil-images/mine/1fi2) | CRYSTAL STRUCTURE OF GERMIN (OXALATE OXIDASE) | Descriptor: | MANGANESE (II) ION, OXALATE OXIDASE | Authors: | Woo, E.J, Dunwell, J.M, Goodenough, P.W, Marvier, A.C, Pickersgill, R.W. | Deposit date: | 2000-08-03 | Release date: | 2001-05-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Germin is a manganese containing homohexamer with oxalate oxidase and superoxide dismutase activities. Nat.Struct.Biol., 7, 2000
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6MH6
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![BU of 6mh6 by Molmil](/molmil-images/mine/6mh6) | High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source. | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W. | Deposit date: | 2018-09-17 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source. Iucrj, 6, 2019
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5FEX
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![BU of 5fex by Molmil](/molmil-images/mine/5fex) | HydE from T. maritima in complex with Se-adenosyl-L-selenocysteine (tfinal of the reaction) | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CHLORIDE ION, ... | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | Deposit date: | 2015-12-17 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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6MNI
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![BU of 6mni by Molmil](/molmil-images/mine/6mni) | Structure of the tandem CACHE domain of PscC | Descriptor: | CHLORIDE ION, GLYCEROL, Methyl-accepting chemotaxis protein, ... | Authors: | Johnston, J.M, Gerth, M.L, Ehrhardt, M.K.G. | Deposit date: | 2018-10-01 | Release date: | 2019-10-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Structure of a double CACHE chemoreceptor ligand-binding domain from Pseudomonas syringae provides insights into the basis of proline recognition. Biochem.Biophys.Res.Commun., 549, 2021
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2WLK
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![BU of 2wlk by Molmil](/molmil-images/mine/2wlk) | STRUCTURE OF THE ATP-SENSITIVE INWARD RECTIFIER POTASSIUM CHANNEL FROM MAGNETOSPIRILLUM MAGNETOTACTICUM | Descriptor: | ATP-SENSITIVE INWARD RECTIFIER POTASSIUM CHANNEL 10, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M. | Deposit date: | 2009-06-24 | Release date: | 2010-06-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels. Cell(Cambridge,Mass.), 141, 2010
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2WLJ
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![BU of 2wlj by Molmil](/molmil-images/mine/2wlj) | Potassium channel from Magnetospirillum magnetotacticum | Descriptor: | CALCIUM ION, CHLORIDE ION, POTASSIUM CHANNEL, ... | Authors: | Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M. | Deposit date: | 2009-06-24 | Release date: | 2010-06-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels. Cell(Cambridge,Mass.), 141, 2010
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6MH5
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![BU of 6mh5 by Molmil](/molmil-images/mine/6mh5) | |