6ZN1
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![BU of 6zn1 by Molmil](/molmil-images/mine/6zn1) | Trehalose transferase bound to alpha-D-glucopyranosyl-beta-galactopyranose from Thermoproteus uzoniensis | Descriptor: | DI(HYDROXYETHYL)ETHER, THIOCYANATE ION, Trehalose phosphorylase/synthase, ... | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | Deposit date: | 2020-07-06 | Release date: | 2021-01-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars. ACS Catal, 10, 2020
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8T85
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![BU of 8t85 by Molmil](/molmil-images/mine/8t85) | Structure of RssB bound to beryllofluoride | Descriptor: | BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Brugger, C, Schwartz, J, Deaconescu, A.M. | Deposit date: | 2023-06-21 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure of phosphorylated-like RssB, the adaptor delivering sigma s to the ClpXP proteolytic machinery, reveals an interface switch for activation. J.Biol.Chem., 299, 2023
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5FDP
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![BU of 5fdp by Molmil](/molmil-images/mine/5fdp) | Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution. | Descriptor: | (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors. J.Med.Chem., 59, 2016
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6ZN6
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![BU of 6zn6 by Molmil](/molmil-images/mine/6zn6) | Protein polybromo-1 (PB1 BD2) Bound To MW278 | Descriptor: | 1,2-ETHANEDIOL, 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol, Protein polybromo-1 | Authors: | Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. | Deposit date: | 2020-07-06 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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5FCF
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![BU of 5fcf by Molmil](/molmil-images/mine/5fcf) | Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris, phosphate and Mn bound | Descriptor: | DI(HYDROXYETHYL)ETHER, GLY-GLY-GLY, GLYCEROL, ... | Authors: | Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R.D. | Deposit date: | 2015-12-15 | Release date: | 2016-12-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure and biochemical investigations reveal novel mode of substrate selectivity and illuminate substrate inhibition and allostericity in a subfamily of Xaa-Pro dipeptidases. Biochim. Biophys. Acta, 1865, 2017
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7QZQ
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![BU of 7qzq by Molmil](/molmil-images/mine/7qzq) | Crystal structure of the kelch domain of human KBTBD12 | Descriptor: | 1,2-ETHANEDIOL, Kelch repeat and BTB domain-containing protein 12, SODIUM ION | Authors: | Manning, C.E, Chen, Z, Chen, X, Bradshaw, W.J, Bakshi, S, Mckinley, G, Chalk, R, Burgess-Brown, N, von Delft, F, Bullock, A.N. | Deposit date: | 2022-01-31 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of the kelch domain of human KBTBD12 To Be Published
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7RCJ
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![BU of 7rcj by Molmil](/molmil-images/mine/7rcj) | Crystal structure of ZnuA from Citrobacter koseri | Descriptor: | 6-tungstotellurate(VI), High-affinity zinc uptake system protein ZnuA, ZINC ION | Authors: | Yukl, E.T, Yekwa, E.L. | Deposit date: | 2021-07-07 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Conformational flexibility in the zinc solute-binding protein ZnuA. Acta Crystallogr.,Sect.F, 78, 2022
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7M1C
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8BMY
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![BU of 8bmy by Molmil](/molmil-images/mine/8bmy) | Bacteroides thetaiotaomicron surface lipoprotein bound to cyanocobalamin | Descriptor: | CHLORIDE ION, CYANOCOBALAMIN, Putative surface layer protein, ... | Authors: | Abellon-Ruiz, J, Jana, K, Silale, A, Basle, A, Kleinekathofer, U, van den Berg, B. | Deposit date: | 2022-11-11 | Release date: | 2023-08-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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6RBU
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5FDX
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![BU of 5fdx by Molmil](/molmil-images/mine/5fdx) | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution. | Descriptor: | 1,2-ETHANEDIOL, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Chalk, R, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution. To Be Published
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6GVW
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![BU of 6gvw by Molmil](/molmil-images/mine/6gvw) | Crystal structure of the BRCA1-A complex | Descriptor: | BRCA1-A complex subunit Abraxas 1, BRCA1-A complex subunit RAP80, BRISC and BRCA1-A complex member 1, ... | Authors: | Bunker, R.D, Rabl, J, Thoma, N.H. | Deposit date: | 2018-06-21 | Release date: | 2019-07-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.75 Å) | Cite: | Structural Basis of BRCC36 Function in DNA Repair and Immune Regulation. Mol.Cell, 75, 2019
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8TH2
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![BU of 8th2 by Molmil](/molmil-images/mine/8th2) | Structure of the isoflavene-forming dirigent protein PsPTS2 | Descriptor: | Dirigent protein | Authors: | Smith, C.A, Meng, Q, Lewis, N.G, Davin, L.B. | Deposit date: | 2023-07-13 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Dirigent isoflavene-forming PsPTS2: 3D structure, stereochemical, and kinetic characterization comparison with pterocarpan-forming PsPTS1 homolog in pea. J.Biol.Chem., 300, 2024
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6DO1
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![BU of 6do1 by Molmil](/molmil-images/mine/6do1) | Structure of nanobody-stabilized angiotensin II type 1 receptor bound to S1I8 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-like peptide S1I8, ... | Authors: | Wingler, L.M, McMahon, C, Staus, D.P, Lefkowitz, R.J, Kruse, A.C. | Deposit date: | 2018-06-08 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Distinctive Activation Mechanism for Angiotensin Receptor Revealed by a Synthetic Nanobody. Cell, 176, 2019
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6GX1
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6DOK
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6ZO1
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![BU of 6zo1 by Molmil](/molmil-images/mine/6zo1) | 1.61 A resolution 3,5-dimethylcatechol (3,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6H8D
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![BU of 6h8d by Molmil](/molmil-images/mine/6h8d) | MamM CTD D249N - Nickel form | Descriptor: | BETA-MERCAPTOETHANOL, Magnetosome protein MamM, Cation efflux protein family, ... | Authors: | Barber-Zucker, S, Zarivach, R. | Deposit date: | 2018-08-02 | Release date: | 2019-08-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | MamM CTD D249N - Nickel form To Be Published
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6ZM3
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![BU of 6zm3 by Molmil](/molmil-images/mine/6zm3) | The structure of an E2 ubiquitin-conjugating complex (UBC2-UEV1) essential for Leishmania amastigote differentiation | Descriptor: | Putative ubiquitin-conjugating enzyme e2, Ubiquitin-conjugating enzyme-like protein | Authors: | Burge, R.J, Dodson, E.J, Wilkinson, A.J, Mottram, J.C. | Deposit date: | 2020-07-01 | Release date: | 2020-07-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Leishmania differentiation requires ubiquitin conjugation mediated by a UBC2-UEV1 E2 complex. Plos Pathog., 16, 2020
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6H8I
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![BU of 6h8i by Molmil](/molmil-images/mine/6h8i) | MamM CTD H285D | Descriptor: | BETA-MERCAPTOETHANOL, Magnetosome protein MamM, Cation efflux protein family, ... | Authors: | Barber-Zucker, S, Zarivach, R. | Deposit date: | 2018-08-02 | Release date: | 2019-08-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | MamM CTD H285D To Be Published
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8SYC
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![BU of 8syc by Molmil](/molmil-images/mine/8syc) | Crystal structure of PDE3B in complex with GSK4394835A | Descriptor: | MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | Authors: | Concha, N.O, Nolte, R. | Deposit date: | 2023-05-25 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library. J.Med.Chem., 67, 2024
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6DOY
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6R7D
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![BU of 6r7d by Molmil](/molmil-images/mine/6r7d) | Crystal structure of LTC4S in complex with AZ13690257 | Descriptor: | (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ... | Authors: | Kack, H, Ek, M. | Deposit date: | 2019-03-28 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma. J.Med.Chem., 62, 2019
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6GFY
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![BU of 6gfy by Molmil](/molmil-images/mine/6gfy) | pVHL:EloB:EloC in complex with modified VH032 containing (3R,4S)-3-fluoro-4-hydroxyproline (ligand 14a) | Descriptor: | (2~{R},3~{R},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Gadd, M.S, Testa, A, Ciulli, A. | Deposit date: | 2018-05-02 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation. J. Am. Chem. Soc., 140, 2018
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6DPC
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