6FL8
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![BU of 6fl8 by Molmil](/molmil-images/mine/6fl8) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP | Descriptor: | 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-01-25 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
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6BGJ
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![BU of 6bgj by Molmil](/molmil-images/mine/6bgj) | Cryo-EM structure of the TMEM16A calcium-activated chloride channel in LMNG | Descriptor: | Anoctamin-1, CALCIUM ION | Authors: | Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, L, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y. | Deposit date: | 2017-10-28 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of the TMEM16A calcium-activated chloride channel. Nature, 552, 2017
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2I5J
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![BU of 2i5j by Molmil](/molmil-images/mine/2i5j) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with DHBNH, an RNASE H inhibitor | Descriptor: | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE, MAGNESIUM ION, Reverse transcriptase/ribonuclease H P51 subunit, ... | Authors: | Himmel, D.M, Sarafianos, S.G, Knight, J.L, Levy, R.M, Arnold, E. | Deposit date: | 2006-08-24 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site. Acs Chem.Biol., 1, 2006
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6F86
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![BU of 6f86 by Molmil](/molmil-images/mine/6f86) | Crystal Structure of E. coli GyraseB 24kDa in complex with 4-(4-bromo-1H-pyrazol-1-yl)-6-[(ethylcarbamoyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide | Descriptor: | 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | Deposit date: | 2017-12-12 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
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6F94
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![BU of 6f94 by Molmil](/molmil-images/mine/6f94) | Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(3-methyphenyl)amino]-N-(3-methyphenyl)pyridine-3-carboxamide | Descriptor: | 6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide, DNA gyrase subunit B | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | Deposit date: | 2017-12-14 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
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6FIS
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1U9P
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![BU of 1u9p by Molmil](/molmil-images/mine/1u9p) | Permuted single-chain Arc | Descriptor: | pArc | Authors: | Tabtiang, R.K, Cezairliyan, B.O, Grant, R.A, Cochrane, J.C, Sauer, R.T. | Deposit date: | 2004-08-10 | Release date: | 2005-02-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Consolidating critical binding determinants by noncyclic rearrangement of protein secondary structure Proc.Natl.Acad.Sci.Usa, 102, 2005
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6FIW
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![BU of 6fiw by Molmil](/molmil-images/mine/6fiw) | |
3WLB
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![BU of 3wlb by Molmil](/molmil-images/mine/3wlb) | HLA-A24 in complex with HIV-1 Nef126-10(8T10F) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C. | Deposit date: | 2013-11-08 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Switching and emergence of CTL epitopes in HIV-1 infection Retrovirology, 11, 2014
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3WL9
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![BU of 3wl9 by Molmil](/molmil-images/mine/3wl9) | HLA-A24 in complex with HIV-1 Nef126-10(8I10F) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C. | Deposit date: | 2013-11-08 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Switching and emergence of CTL epitopes in HIV-1 infection Retrovirology, 11, 2014
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6FFC
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![BU of 6ffc by Molmil](/molmil-images/mine/6ffc) | Structure of an inhibitor-bound ABC transporter | Descriptor: | ATP-binding cassette sub-family G member 2, ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate | Authors: | Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Taylor, N.M.I, Bause, M, Bauer, S, Bartholomaeus, R, Stahlberg, H, Bernhardt, G, Koenig, B, Buschauer, A, Altmann, K.H, Locher, K.P. | Deposit date: | 2018-01-06 | Release date: | 2018-04-11 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Structural basis of small-molecule inhibition of human multidrug transporter ABCG2. Nat. Struct. Mol. Biol., 25, 2018
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8E6Y
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6CGQ
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![BU of 6cgq by Molmil](/molmil-images/mine/6cgq) | Threonine synthase from Bacillus subtilis ATCC 6633 with PLP and PLP-Ala | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Petronikolou, N, Nair, S.K. | Deposit date: | 2018-02-20 | Release date: | 2019-02-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.019 Å) | Cite: | Molecular Basis of Bacillus subtilis ATCC 6633 Self-Resistance to the Phosphono-oligopeptide Antibiotic Rhizocticin. ACS Chem. Biol., 14, 2019
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6CSV
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![BU of 6csv by Molmil](/molmil-images/mine/6csv) | The structure of the Cep63-Cep152 heterotetrameric complex | Descriptor: | Centrosomal protein of 63 kDa,Centrosomal protein of 152 kDa | Authors: | Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S. | Deposit date: | 2018-03-21 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular architecture of a cylindrical self-assembly at human centrosomes. Nat Commun, 10, 2019
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6GH5
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![BU of 6gh5 by Molmil](/molmil-images/mine/6gh5) | Cryo-EM structure of bacterial RNA polymerase-sigma54 holoenzyme transcription open complex | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Glyde, R, Ye, F.Z, Zhang, X.D. | Deposit date: | 2018-05-04 | Release date: | 2018-07-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of Bacterial RNA Polymerase Complexes Reveal the Mechanism of DNA Loading and Transcription Initiation. Mol. Cell, 70, 2018
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6GP2
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![BU of 6gp2 by Molmil](/molmil-images/mine/6gp2) | Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, DOPA-active form | Descriptor: | CALCIUM ION, Ribonucleoside-diphosphate reductase beta chain | Authors: | Srinivas, V, Lebrette, H, Lundin, D, Kutin, Y, Sahlin, M, Lerche, M, Enrich, J, Branca, R.M.M, Cox, N, Sjoberg, B.M, Hogbom, M. | Deposit date: | 2018-06-05 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens. Nature, 563, 2018
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3P96
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6GFG
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![BU of 6gfg by Molmil](/molmil-images/mine/6gfg) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with D-chiro-IP6 and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-chiro inositol hexakisphosphate, Inositol-pentakisphosphate 2-kinase, ... | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-04-30 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
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6FL3
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![BU of 6fl3 by Molmil](/molmil-images/mine/6fl3) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ... | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-01-25 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
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6FIU
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6BVB
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![BU of 6bvb by Molmil](/molmil-images/mine/6bvb) | Crystal structure of HIF-2alpha-pVHL-elongin B-elongin C | Descriptor: | Elongin-B, Elongin-C, Hypoxia-Inducible Factor 2 alpha, ... | Authors: | Tarade, D, Ohh, M, Lee, J.E. | Deposit date: | 2017-12-12 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | HIF-2 alpha-pVHL complex reveals broad genotype-phenotype correlations in HIF-2 alpha-driven disease. Nat Commun, 9, 2018
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6FJK
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![BU of 6fjk by Molmil](/molmil-images/mine/6fjk) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-01-22 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.025 Å) | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
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6FEQ
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![BU of 6feq by Molmil](/molmil-images/mine/6feq) | Structure of inhibitor-bound ABCG2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ... | Authors: | Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Altmann, K.H, Locher, K.P. | Deposit date: | 2018-01-03 | Release date: | 2018-04-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of small-molecule inhibition of human multidrug transporter ABCG2. Nat. Struct. Mol. Biol., 25, 2018
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1GKA
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![BU of 1gka by Molmil](/molmil-images/mine/1gka) | The molecular basis of the coloration mechanism in lobster shell. beta-crustacyanin at 3.2 A resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASTAXANTHIN, ... | Authors: | Cianci, M, Rizkallah, P.J, Olczak, A, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R. | Deposit date: | 2001-08-10 | Release date: | 2002-08-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | The Molecular Basis of the Coloration Mechanism in Lobster Shell: Beta -Crustacyanin at 3.2-A Resolution Proc.Natl.Acad.Sci.USA, 99, 2002
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6FIR
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![BU of 6fir by Molmil](/molmil-images/mine/6fir) | |