8QBJ
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![BU of 8qbj by Molmil](/molmil-images/mine/8qbj) | Structure of mBaoJin at pH 4.6 | Descriptor: | CHLORIDE ION, mBaoJin | Authors: | Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V. | Deposit date: | 2023-08-24 | Release date: | 2023-12-27 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bright and stable monomeric green fluorescent protein derived from StayGold. Nat.Methods, 21, 2024
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6PYR
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![BU of 6pyr by Molmil](/molmil-images/mine/6pyr) | Human PI3Kdelta in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one) | Descriptor: | (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Lesburg, C.A, Augustin, M.A. | Deposit date: | 2019-07-30 | Release date: | 2019-08-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow. Bioorg.Med.Chem.Lett., 29, 2019
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7OM3
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![BU of 7om3 by Molmil](/molmil-images/mine/7om3) | Crystal structure of KOD DNA Polymerase in a binary complex with Hypoxanthine containing template | Descriptor: | 1,2-ETHANEDIOL, 21nt Template, BROMIDE ION, ... | Authors: | Betz, K, Kropp, H.M, Diederichs, K, Marx, A. | Deposit date: | 2021-05-21 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural Basis for The Recognition of Deaminated Nucleobases by An Archaeal DNA Polymerase. Chembiochem, 22, 2021
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4YUN
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![BU of 4yun by Molmil](/molmil-images/mine/4yun) | Multiconformer synchrotron model of CypA at 310 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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5N17
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![BU of 5n17 by Molmil](/molmil-images/mine/5n17) | First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3) | Descriptor: | (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
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5N1D
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6ZI0
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![BU of 6zi0 by Molmil](/molmil-images/mine/6zi0) | Crystal structure of the isolated H. influenzae VapD toxin (wildtype) | Descriptor: | Endoribonuclease VapD | Authors: | Bertelsen, M.B, Senissar, M, Nielsen, M.H, Bisiak, F, Cunha, M.V, Molinaro, A.L, Daines, D.A, Brodersen, D.E. | Deposit date: | 2020-06-24 | Release date: | 2020-10-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Toxin Inhibition in the VapXD Toxin-Antitoxin System. Structure, 29, 2021
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8QOT
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![BU of 8qot by Molmil](/molmil-images/mine/8qot) | Structure of the mu opioid receptor bound to the antagonist nanobody NbE | Descriptor: | Anti-Fab Nanobody, Mu-type opioid receptor, NabFab HC, ... | Authors: | Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Manglik, A, Ballet, S, Boland, A, Stoeber, M. | Deposit date: | 2023-09-29 | Release date: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural Basis of mu-Opioid Receptor-Targeting by a Nanobody Antagonist. Biorxiv, 2023
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5NJ1
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![BU of 5nj1 by Molmil](/molmil-images/mine/5nj1) | |
8QK8
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![BU of 8qk8 by Molmil](/molmil-images/mine/8qk8) | |
6PTE
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![BU of 6pte by Molmil](/molmil-images/mine/6pte) | Crystal Structure of ILNAMITKI peptide bound to HLA-A2 | Descriptor: | Beta-2-microglobulin, GLYCEROL, HAUS augmin-like complex subunit 3, ... | Authors: | Smith, A.R, Arbuiso, A, Keller, G.L.J, Baker, B.M. | Deposit date: | 2019-07-15 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structure Based Prediction of Neoantigen Immunogenicity. Front Immunol, 10, 2019
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8QDD
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![BU of 8qdd by Molmil](/molmil-images/mine/8qdd) | Structure of mBaoJin at pH 8.5 | Descriptor: | CHLORIDE ION, SULFATE ION, mBaoJin | Authors: | Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V. | Deposit date: | 2023-08-28 | Release date: | 2023-12-27 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bright and stable monomeric green fluorescent protein derived from StayGold. Nat.Methods, 21, 2024
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8QH6
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![BU of 8qh6 by Molmil](/molmil-images/mine/8qh6) | Crystal structure of IpgC in complex with a follow-up compound based on J20 | Descriptor: | 3-azanyl-6-chloranyl-isoindol-1-one, CHLORIDE ION, Chaperone protein IpgC, ... | Authors: | Wallbaum, J.E, Heine, A, Reuter, K. | Deposit date: | 2023-09-06 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC. Acs Omega, 8, 2023
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6Z9E
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![BU of 6z9e by Molmil](/molmil-images/mine/6z9e) | 1.55 A structure of human apoferritin obtained from data subset of Titan Mono-BCOR microscope | Descriptor: | Ferritin heavy chain, SODIUM ION | Authors: | Yip, K.M, Fischer, N, Paknia, E, Chari, A, Stark, H. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (1.55 Å) | Cite: | Atomic-resolution protein structure determination by cryo-EM. Nature, 587, 2020
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6PVF
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![BU of 6pvf by Molmil](/molmil-images/mine/6pvf) | Crystal structure of PhqK in complex with malbrancheamide B | Descriptor: | (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | Deposit date: | 2019-07-20 | Release date: | 2020-01-22 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway. J.Am.Chem.Soc., 142, 2020
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6PVH
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![BU of 6pvh by Molmil](/molmil-images/mine/6pvh) | Crystal structure of PhqK in complex with paraherquamide K | Descriptor: | (7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | Deposit date: | 2019-07-20 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway. J.Am.Chem.Soc., 142, 2020
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6PW2
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7TRB
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![BU of 7trb by Molmil](/molmil-images/mine/7trb) | CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE | Descriptor: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator | Authors: | Khan, J.A, Ruzanov, M. | Deposit date: | 2022-01-28 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis. J.Med.Chem., 65, 2022
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6ZCM
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![BU of 6zcm by Molmil](/molmil-images/mine/6zcm) | Crystal structure of YTHDC1 with compound DHU_DC1_180 | Descriptor: | 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-06-11 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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7U0K
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![BU of 7u0k by Molmil](/molmil-images/mine/7u0k) | IOMA class antibody Fab ACS124 | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, IOMA Class antibody ACS124 Heavy chain, IOMA Class antibody ACS124 Light chain | Authors: | Farokhi, E, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2022-02-18 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein. Nat Commun, 13, 2022
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6NPQ
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5NME
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![BU of 5nme by Molmil](/molmil-images/mine/5nme) | 868 TCR in complex with HLA A02 presenting SLYNTVATL | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | Deposit date: | 2017-04-05 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope. Front Immunol, 8, 2017
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7TGV
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![BU of 7tgv by Molmil](/molmil-images/mine/7tgv) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B2 | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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8U48
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![BU of 8u48 by Molmil](/molmil-images/mine/8u48) | Crystal structure of Bacteroides thetaiotamicron BT1285 D161A-E163A inactive Endoglycosidase in complex with high-mannose N-glycan (Man9GlcNAc2) substrate | Descriptor: | Endo-beta-N-acetylglucosaminidase, PHOSPHATE ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Sastre, D.E, Sultana, N, Navarro, M.V.A.S, Sundberg, E.J. | Deposit date: | 2023-09-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate. Nat Commun, 15, 2024
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6ZD5
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![BU of 6zd5 by Molmil](/molmil-images/mine/6zd5) | |