4AF3
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![BU of 4af3 by Molmil](/molmil-images/mine/4af3) | Human Aurora B Kinase in complex with INCENP and VX-680 | Descriptor: | AURORA KINASE B, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, INNER CENTROMERE PROTEIN | Authors: | Elkins, J.M, Vollmar, M, Wang, J, Picaud, S, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Knapp, S. | Deposit date: | 2012-01-16 | Release date: | 2012-04-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of Human Aurora B in Complex with Incenp and Vx-680. J.Med.Chem., 55, 2012
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2JYJ
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![BU of 2jyj by Molmil](/molmil-images/mine/2jyj) | Re-refining the tetraloop-receptor RNA-RNA complex using NMR-derived restraints and Xplor-nih (2.18) | Descriptor: | RNA (43-MER) | Authors: | Zuo, X, Wang, J, Foster, T.R, Schwieters, C.D, Tiede, D.M, Butcher, S.E, Wang, Y. | Deposit date: | 2007-12-13 | Release date: | 2008-10-07 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | RNA helical packing in solution: NMR structure of a 30 kDa GAAA tetraloop-receptor complex. J.Mol.Biol., 351, 2005
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5O2D
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![BU of 5o2d by Molmil](/molmil-images/mine/5o2d) | PARP14 Macrodomain 2 with inhibitor | Descriptor: | Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide | Authors: | Uth, K, Schuller, M, Sieg, C, Wang, J, Krojer, T, Knapp, S, Riedels, K, Bracher, F, Edwards, A.M, Arrowsmith, C, Bountra, C, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-05-20 | Release date: | 2017-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14. ACS Chem. Biol., 12, 2017
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7YKD
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![BU of 7ykd by Molmil](/molmil-images/mine/7ykd) | Cryo-EM structure of the human chemerin receptor 1 complex with the C-terminal nonapeptide of chemerin | Descriptor: | CHOLESTEROL, Chemerin-like receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Chen, G, Liao, Q, Ye, R.D, Wang, J. | Deposit date: | 2022-07-22 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Cryo-EM structure of the human chemerin receptor 1-Gi protein complex bound to the C-terminal nonapeptide of chemerin. Proc.Natl.Acad.Sci.USA, 120, 2023
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3SQ2
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![BU of 3sq2 by Molmil](/molmil-images/mine/3sq2) | RB69 DNA Polymerase Ternary Complex with dTTP Opposite 2AP (AT rich sequence) | Descriptor: | 5'-D(*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*G)-3', CALCIUM ION, ... | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | Deposit date: | 2011-07-04 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase. Biochemistry, 50, 2011
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3SQ4
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![BU of 3sq4 by Molmil](/molmil-images/mine/3sq4) | RB69 DNA Polymerase Ternary Complex with dTTP Opposite 2AP (GC rich sequence) | Descriptor: | 5'-D(*CP*GP*CP*GP*CP*GP*GP*CP*GP*GP*CP*GP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*CP*GP*CP*CP*GP*CP*CP*GP*CP*GP*CP*GP*G)-3', CALCIUM ION, ... | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | Deposit date: | 2011-07-04 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase. Biochemistry, 50, 2011
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3SUQ
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![BU of 3suq by Molmil](/molmil-images/mine/3suq) | RB69 DNA Polymerase (Y567A) Ternary Complex with dCTP Opposite 2AP (AT rich sequence) | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*G)-3', ... | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | Deposit date: | 2011-07-11 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase. Biochemistry, 50, 2011
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3SUP
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![BU of 3sup by Molmil](/molmil-images/mine/3sup) | RB69 DNA Polymerase (Y567A) Ternary Complex with dCTP Opposite 2AP (GC rich sequence) | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*GP*CP*GP*CP*GP*GP*CP*GP*GP*CP*GP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*CP*GP*CP*CP*GP*CP*CP*GP*CP*GP*CP*GP*G)-3', ... | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | Deposit date: | 2011-07-11 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase. Biochemistry, 50, 2011
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3SUN
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![BU of 3sun by Molmil](/molmil-images/mine/3sun) | RB69 DNA Polymerase (Y567A) Ternary Complex with dTTP Opposite 2AP (AT rich sequence) | Descriptor: | 5'-D(*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*G)-3', CALCIUM ION, ... | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | Deposit date: | 2011-07-11 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase. Biochemistry, 50, 2011
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3SUO
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![BU of 3suo by Molmil](/molmil-images/mine/3suo) | RB69 DNA Polymerase (Y567A) Ternary Complex with dTTP Opposite 2AP (GC rich sequence) | Descriptor: | 5'-D(*CP*GP*CP*GP*CP*GP*GP*CP*GP*GP*CP*GP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*CP*GP*CP*CP*GP*CP*CP*GP*CP*GP*CP*GP*G)-3', CALCIUM ION, ... | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | Deposit date: | 2011-07-11 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase. Biochemistry, 50, 2011
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4U01
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![BU of 4u01 by Molmil](/molmil-images/mine/4u01) | HCV NS3/4A serine protease in complex with 6570 | Descriptor: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, CHLORIDE ION, NS4A protein, ... | Authors: | Parsy, C.C, Alexandre, F.-R, Brandt, G, Caillet, C, Chaves, D, Derock, M, Gloux, D, Griffon, Y, Lallos, L.B, Leroy, F, Liuzzi, M, Loi, A.-G, Mayes, B, Moulat, L, Moussa, A, Chiara, M, Roques, V, Rosinovsky, E, Seifer, M, Stewart, A, Wang, J, Standring, D, Surleraux, D. | Deposit date: | 2014-07-11 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320. Bioorg.Med.Chem.Lett., 25, 2015
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1MKY
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![BU of 1mky by Molmil](/molmil-images/mine/1mky) | Structural Analysis of the Domain Interactions in Der, a Switch Protein Containing Two GTPase Domains | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, Probable GTP-binding protein engA | Authors: | Robinson, V.L, Hwang, J, Fox, E, Inouye, M, Stock, A.M. | Deposit date: | 2002-08-29 | Release date: | 2003-01-14 | Last modified: | 2015-02-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Domain Arrangement of Der, a Switch Protein Containing Two GTPase Domains Structure, 10, 2002
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4J2E
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![BU of 4j2e by Molmil](/molmil-images/mine/4j2e) | RB69 DNA Polymerase L415M Ternary Complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*G)-3'), ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2013-02-04 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Alteration in the cavity size adjacent to the active site of RB69 DNA polymerase changes its conformational dynamics. Nucleic Acids Res., 41, 2013
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4J2A
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![BU of 4j2a by Molmil](/molmil-images/mine/4j2a) | RB69 DNA Polymerase L415A Ternary Complex | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2013-02-04 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Alteration in the cavity size adjacent to the active site of RB69 DNA polymerase changes its conformational dynamics. Nucleic Acids Res., 41, 2013
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4J2B
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![BU of 4j2b by Molmil](/molmil-images/mine/4j2b) | RB69 DNA Polymerase L415G Ternary Complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*T)-3'), ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2013-02-04 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Alteration in the cavity size adjacent to the active site of RB69 DNA polymerase changes its conformational dynamics. Nucleic Acids Res., 41, 2013
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8GTZ
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![BU of 8gtz by Molmil](/molmil-images/mine/8gtz) | |
6KVS
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![BU of 6kvs by Molmil](/molmil-images/mine/6kvs) | Staphylococcus aureus FabH with covalent inhibitor Oxa1 | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, 4-chloranyl-N-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide | Authors: | Yuan, Y, Wang, J. | Deposit date: | 2019-09-05 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of S. aureus FabH, beta-ketoacyl carrier protein synthase To Be Published
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2LUN
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![BU of 2lun by Molmil](/molmil-images/mine/2lun) | |
5WDH
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![BU of 5wdh by Molmil](/molmil-images/mine/5wdh) | Motor domain of human kinesin family member C1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC1, MAGNESIUM ION, ... | Authors: | Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-07-05 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein. Sci Rep, 7, 2017
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7D5Y
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![BU of 7d5y by Molmil](/molmil-images/mine/7d5y) | |
2XXN
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![BU of 2xxn by Molmil](/molmil-images/mine/2xxn) | Structure of the vIRF4-HAUSP TRAF domain complex | Descriptor: | K10, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 7 | Authors: | Choi, W.C, Hwang, J, Kim, M.H. | Deposit date: | 2010-11-11 | Release date: | 2011-11-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bilateral Inhibition of Hausp Deubiquitinase by a Viral Interferon Regulatory Factor Protein Nat.Struct.Mol.Biol., 18, 2011
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8HGU
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![BU of 8hgu by Molmil](/molmil-images/mine/8hgu) | |
6II2
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![BU of 6ii2 by Molmil](/molmil-images/mine/6ii2) | Crystal structure of alpha-beta hydrolase (ABH) and Makes Caterpillars Floppy (MCF)-Like effectors of Vibrio vulnificus MO6-24/O | Descriptor: | Putative RTX-toxin | Authors: | Lee, Y, Kim, B.S, Choi, S, Lee, E.Y, Park, S, Hwang, J, Kwon, Y, Hyung, J, Lee, C, Eom, S.H, Kim, M.H. | Deposit date: | 2018-10-03 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Makes caterpillars floppy-like effector-containing MARTX toxins require host ADP-ribosylation factor (ARF) proteins for systemic pathogenicity. Proc.Natl.Acad.Sci.USA, 116, 2019
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6A8J
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![BU of 6a8j by Molmil](/molmil-images/mine/6a8j) | Crystal structure of bacterial protein toxins | Descriptor: | GLYCEROL, RTX toxin, SULFATE ION | Authors: | Kim, M.H, Hwang, J, Jang, S.Y. | Deposit date: | 2018-07-09 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.711 Å) | Cite: | Structural basis of inactivation of Ras and Rap1 small GTPases by Ras/Rap1-specific endopeptidase from the sepsis-causing pathogenVibrio vulnificus J. Biol. Chem., 293, 2018
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6II6
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![BU of 6ii6 by Molmil](/molmil-images/mine/6ii6) | Crystal structure of the Makes Caterpillars Floppy (MCF)-Like effector of Vibrio vulnificus MO6-24/O in complex with a human ADP-ribosylation factor 3 (ARF3) | Descriptor: | ADP-ribosylation factor 3, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lee, Y, Kim, B.S, Choi, S, Lee, E.Y, Park, S, Hwang, J, Kwon, Y, Hyun, J, Lee, C, Eom, S.H, Kim, M.H. | Deposit date: | 2018-10-03 | Release date: | 2019-08-07 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Makes caterpillars floppy-like effector-containing MARTX toxins require host ADP-ribosylation factor (ARF) proteins for systemic pathogenicity. Proc.Natl.Acad.Sci.USA, 116, 2019
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