6KWX
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![BU of 6kwx by Molmil](/molmil-images/mine/6kwx) | cryo-EM structure of human PA200 | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Proteasome activator complex subunit 4, [(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate | Authors: | Ouyang, S, Hongxin, G. | Deposit date: | 2019-09-09 | Release date: | 2020-04-01 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Cryo-EM structures of the human PA200 and PA200-20S complex reveal regulation of proteasome gate opening and two PA200 apertures. Plos Biol., 18, 2020
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3DV4
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![BU of 3dv4 by Molmil](/molmil-images/mine/3dv4) | Crystal structure of SAG506-01, tetragonal, crystal 1 | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ... | Authors: | Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V. | Deposit date: | 2008-07-18 | Release date: | 2008-12-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments. Acta Crystallogr.,Sect.D, 64, 2008
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6USZ
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![BU of 6usz by Molmil](/molmil-images/mine/6usz) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Vigers, G.P, Smith, D.J. | Deposit date: | 2019-10-28 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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3DRY
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![BU of 3dry by Molmil](/molmil-images/mine/3dry) | |
8FCO
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![BU of 8fco by Molmil](/molmil-images/mine/8fco) | Cryo-EM structure of p97:UBXD1 meta state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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3DRX
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7PZY
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![BU of 7pzy by Molmil](/molmil-images/mine/7pzy) | Structure of the vacant Candida albicans 80S ribosome | Descriptor: | 1,4-DIAMINOBUTANE, 18S ribosomal RNA, 25S ribosomal RNA, ... | Authors: | Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | Deposit date: | 2021-10-13 | Release date: | 2022-05-18 | Last modified: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (2.32 Å) | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome. Sci Adv, 8, 2022
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7Q0P
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![BU of 7q0p by Molmil](/molmil-images/mine/7q0p) | Structure of the Candida albicans 80S ribosome in complex with anisomycin | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ... | Authors: | Kolosova, O, Zgadzay, Y, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | Deposit date: | 2021-10-15 | Release date: | 2022-05-18 | Last modified: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome. Sci Adv, 8, 2022
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7Q0F
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![BU of 7q0f by Molmil](/molmil-images/mine/7q0f) | Structure of Candida albicans 80S ribosome in complex with phyllanthoside | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ... | Authors: | Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | Deposit date: | 2021-10-14 | Release date: | 2022-05-18 | Last modified: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome. Sci Adv, 8, 2022
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1JNR
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![BU of 1jnr by Molmil](/molmil-images/mine/1jnr) | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6 resolution | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Fritz, G, Roth, A, Schiffer, A, Buechert, T, Bourenkov, G, Bartunik, H.D, Huber, H, Stetter, K.O, Kroneck, P.M.H, Ermler, U. | Deposit date: | 2001-07-25 | Release date: | 2002-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6-A resolution Proc.Natl.Acad.Sci.USA, 99, 2002
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4ZK7
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![BU of 4zk7 by Molmil](/molmil-images/mine/4zk7) | Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31 | Descriptor: | Chorismate mutase, Divalent-cation tolerance protein CutA | Authors: | Liu, Y, Cascio, D, Sawaya, M.R, Bale, J, Collazo, M.J, Park, R, King, N, Baker, D, Yeates, T. | Deposit date: | 2015-04-30 | Release date: | 2015-07-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of a designed tetrahedral protein assembly variant engineered to have improved soluble expression. Protein Sci., 24, 2015
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7MET
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![BU of 7met by Molmil](/molmil-images/mine/7met) | A. baumannii MsbA in complex with TBT1 decoupler | Descriptor: | 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, ATP-dependent lipid A-core flippase | Authors: | Thelot, F, Liao, M. | Deposit date: | 2021-04-07 | Release date: | 2021-10-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Distinct allosteric mechanisms of first-generation MsbA inhibitors. Science, 374, 2021
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4HDP
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![BU of 4hdp by Molmil](/molmil-images/mine/4hdp) | Crystal Structure of HIV-1 protease mutants I50V complexed with inhibitor GRL-0519 | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ... | Authors: | Shen, C.H, Zhang, H, Weber, I.T. | Deposit date: | 2012-10-02 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J.Med.Chem., 56, 2013
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6RCW
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![BU of 6rcw by Molmil](/molmil-images/mine/6rcw) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053 | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2019-04-11 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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3DRZ
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![BU of 3drz by Molmil](/molmil-images/mine/3drz) | |
3DV6
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![BU of 3dv6 by Molmil](/molmil-images/mine/3dv6) | Crystal structure of SAG506-01, tetragonal, crystal 2 | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ... | Authors: | Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V. | Deposit date: | 2008-07-18 | Release date: | 2008-12-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments. Acta Crystallogr.,Sect.D, 64, 2008
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4HE9
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![BU of 4he9 by Molmil](/molmil-images/mine/4he9) | Crystal Structure of HIV-1 protease mutants I54M complexed with inhibitor GRL-0519 | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 protease, ... | Authors: | Shen, C.H, Zhang, H, Weber, I.T. | Deposit date: | 2012-10-03 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J.Med.Chem., 56, 2013
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6T59
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![BU of 6t59 by Molmil](/molmil-images/mine/6t59) | Structure of rabbit 80S ribosome translating beta-tubulin in complex with tetratricopeptide protein 5 and nascent chain-associated complex | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Lin, Z, Gasic, I, Chandrasekaran, V, Peters, N, Shao, S, Ramakrishnan, V, Mitchison, T.J, Hegde, R.S. | Deposit date: | 2019-10-15 | Release date: | 2019-11-27 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | TTC5 mediates autoregulation of tubulin via mRNA degradation. Science, 367, 2020
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7JJD
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![BU of 7jjd by Molmil](/molmil-images/mine/7jjd) | |
8FCN
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![BU of 8fcn by Molmil](/molmil-images/mine/8fcn) | Cryo-EM structure of p97:UBXD1 VIM-only state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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8FCP
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![BU of 8fcp by Molmil](/molmil-images/mine/8fcp) | Cryo-EM structure of p97:UBXD1 para state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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8FCL
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![BU of 8fcl by Molmil](/molmil-images/mine/8fcl) | Cryo-EM structure of p97:UBXD1 closed state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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5EJ9
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![BU of 5ej9 by Molmil](/molmil-images/mine/5ej9) | EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2 min and isochorismate for 13 min | Descriptor: | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, FORMIC ACID, GLYCEROL, ... | Authors: | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | Deposit date: | 2015-11-01 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis J.Am.Chem.Soc., 138, 2016
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5VAL
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![BU of 5val by Molmil](/molmil-images/mine/5val) | BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide | Descriptor: | N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2017-03-27 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J. Med. Chem., 60, 2017
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7JJE
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![BU of 7jje by Molmil](/molmil-images/mine/7jje) | |