3PI9
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![BU of 3pi9 by Molmil](/molmil-images/mine/3pi9) | Site-specific Glycosylation of Hemoglobin Utilizing Oxime Ligation Chemistry as a Viable Alternative to PEGylation | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Bhatt, V.S, Styslinger, T.J, Zhang, N, Wang, P.G, Palmer, A.F. | Deposit date: | 2010-11-05 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: |
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4FA0
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![BU of 4fa0 by Molmil](/molmil-images/mine/4fa0) | Crystal structure of human AdPLA to 2.65 A resolution | Descriptor: | Group XVI phospholipase A1/A2 | Authors: | Lovell, S, Battaile, K.P, Addington, L, Zhang, N, Rao, J.L.U.M, Moise, A.R. | Deposit date: | 2012-05-21 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure/Function relationships of adipose phospholipase A2 containing a cys-his-his catalytic triad. J.Biol.Chem., 287, 2012
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3PIA
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![BU of 3pia by Molmil](/molmil-images/mine/3pia) | Site-specific Glycosylation of Hemoglobin Utilizing Oxime Ligation Chemistry as a Viable Alternative to PEGylation | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Bhatt, V.S, Styslinger, T.J, Zhang, N, Wang, P.G, Palmer, A.F. | Deposit date: | 2010-11-05 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: |
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3AQT
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![BU of 3aqt by Molmil](/molmil-images/mine/3aqt) | CRYSTAL STRUCTURE OF RolR (NCGL1110) complex WITH ligand RESORCINOL | Descriptor: | Bacterial regulatory proteins, tetR family, RESORCINOL | Authors: | Li, D.F, Zhang, N, Hou, Y.J, Liu, S.J, Wang, D.C. | Deposit date: | 2010-11-18 | Release date: | 2011-07-06 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the transcriptional repressor RolR reveals a novel recognition mechanism between inducer and regulator. Plos One, 6, 2011
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3PI8
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![BU of 3pi8 by Molmil](/molmil-images/mine/3pi8) | Site-specific Glycosylation of Hemoglobin Utilizing Oxime Ligation Chemistry as a Viable Alternative to PEGylation | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Bhatt, V.S, Styslinger, T.J, Zhang, N, Wang, P.G, Palmer, A.F. | Deposit date: | 2010-11-05 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: |
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4J3N
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![BU of 4j3n by Molmil](/molmil-images/mine/4j3n) | Human Topoisomerase Iibeta in complex with DNA | Descriptor: | DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), DNA topoisomerase 2-beta, ... | Authors: | Wu, C.C, Li, T.K, Li, Y.C, Chan, N.L. | Deposit date: | 2013-02-06 | Release date: | 2013-10-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs Nucleic Acids Res., 41, 2013
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3UA0
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![BU of 3ua0 by Molmil](/molmil-images/mine/3ua0) | N-Terminal Domain of Bombyx mori Fibroin Mediates the Assembly of Silk in Response to pH Decrease | Descriptor: | Fibroin heavy chain | Authors: | He, Y.-X, Zhang, N.-N, Chen, B.-Y, Li, W.-F, Chen, Y.-X, Zhou, C.-Z. | Deposit date: | 2011-10-20 | Release date: | 2012-03-28 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | N-Terminal Domain of Bombyx mori Fibroin Mediates the Assembly of Silk in Response to pH Decrease. J.Mol.Biol., 418, 2012
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5ZQF
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![BU of 5zqf by Molmil](/molmil-images/mine/5zqf) | Crystal structure of human topoisomerase II beta in complex with 5-iodouridine-containing-DNA in space group P3221 | Descriptor: | DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA topoisomerase 2-beta, DNA/RNA (5'-D(P*AP*GP*C)-R(P*(IU))-D(P*CP*GP*GP*C)-R(P*(IU))-3'), ... | Authors: | Chen, S.F, Wang, Y.R, Chan, N.L. | Deposit date: | 2018-04-18 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.873 Å) | Cite: | Structural insights into the gating of DNA passage by the topoisomerase II DNA-gate. Nat Commun, 9, 2018
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6KGR
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![BU of 6kgr by Molmil](/molmil-images/mine/6kgr) | LSD1-FCPA-MPE N5 adduct model | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Niwa, H, Sato, S, Handa, N, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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4Q26
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6KGQ
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![BU of 6kgq by Molmil](/molmil-images/mine/6kgq) | LSD1-FCPA-MPE five-membered ring adduct model | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Niwa, H, Sato, S, Handa, N, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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4Q1P
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4Q1R
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![BU of 4q1r by Molmil](/molmil-images/mine/4q1r) | Galectin-1 in Complex with Ligand AN027 | Descriptor: | Galectin-1, SULFATE ION, propyl 2-(acetylamino)-2-deoxy-4-O-[3-O-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside | Authors: | Grimm, C, Bertleff-Zieschang, N. | Deposit date: | 2014-04-04 | Release date: | 2015-10-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Galectin-1 in Complex with Ligand AN027 To be Published
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5ZRF
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![BU of 5zrf by Molmil](/molmil-images/mine/5zrf) | Crystal structure of human topoisomerase II beta in complex with 5-iodouridine-containing-DNA and etoposide in space group p21 | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA topoisomerase 2-beta, ... | Authors: | Chen, S.F, Wang, Y.R, Wu, C.C, Chan, N.L. | Deposit date: | 2018-04-24 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the gating of DNA passage by the topoisomerase II DNA-gate. Nat Commun, 9, 2018
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4Q27
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6A7Y
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![BU of 6a7y by Molmil](/molmil-images/mine/6a7y) | Solution structure of an intermolecular leaped V-shape G-quadruplex | Descriptor: | DNA (5'-D(*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*GP*GP*GP*A)-3') | Authors: | Wan, C.J, Zhang, N. | Deposit date: | 2018-07-05 | Release date: | 2018-12-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR solution structure of an asymmetric intermolecular leaped V-shape G-quadruplex: selective recognition of the d(G2NG3NG4) sequence motif by a short linear G-rich DNA probe. Nucleic Acids Res., 47, 2019
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4Q2F
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![BU of 4q2f by Molmil](/molmil-images/mine/4q2f) | Galectin-1 in Complex with Ligand AN020 | Descriptor: | Galectin-1, SULFATE ION, prop-2-en-1-yl 2-(acetylamino)-4-O-(3-O-{[1-(5-amino-1H-1,2,4-triazol-3-yl)-1H-1,2,3-triazol-4-yl]methyl}-beta-D-galactopyranosyl)-2-deoxy-beta-D-glucopyranoside | Authors: | Grimm, C, Bertleff-Zieschang, N. | Deposit date: | 2014-04-08 | Release date: | 2015-10-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Galectin-1 in Complex with Ligand AN020 To be Published
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6L6E
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![BU of 6l6e by Molmil](/molmil-images/mine/6l6e) | Human PDE5 catalytic core in complex with avanafil | Descriptor: | 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide, MAGNESIUM ION, SULFATE ION, ... | Authors: | Hsieh, C.M, Chan, N.L. | Deposit date: | 2019-10-28 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting alpha-Helix Backbone Oxygen by Halogen Bonding. J.Med.Chem., 63, 2020
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7JRJ
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![BU of 7jrj by Molmil](/molmil-images/mine/7jrj) | Chlamydomonas reinhardtii radial spoke head and neck (recombinant) | Descriptor: | Flagellar radial spoke protein 1, Flagellar radial spoke protein 10, Flagellar radial spoke protein 2, ... | Authors: | Grossman-Haham, I, Coudray, N, Yu, Z, Wang, F, Zhang, N, Bhabha, G, Vale, R.D. | Deposit date: | 2020-08-12 | Release date: | 2020-12-16 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Structure of the radial spoke head and insights into its role in mechanoregulation of ciliary beating. Nat.Struct.Mol.Biol., 28, 2021
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5HIM
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![BU of 5him by Molmil](/molmil-images/mine/5him) | Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with S-adenosylhomocysteine and dimethylglycine | Descriptor: | 1,2-ETHANEDIOL, Glycine sarcosine N-methyltransferase, N,N-DIMETHYLGLYCINE, ... | Authors: | Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L. | Deposit date: | 2016-01-12 | Release date: | 2016-11-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.338 Å) | Cite: | Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity Sci Rep, 6, 2016
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2H5X
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![BU of 2h5x by Molmil](/molmil-images/mine/2h5x) | RuvA from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, Holliday junction ATP-dependent DNA helicase ruvA | Authors: | Prabu, J.R, Thamotharan, S, Khanduja, J.S, Alipio, E.Z, Kim, C.Y, Waldo, G.S, Terwilliger, T.C, Segelke, B, Lekin, T, Toppani, D, Hung, L.W, Yu, M, Bursey, E, Muniyappa, K, Chandra, N.R, Vijayan, M. | Deposit date: | 2006-05-28 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Mycobacterium tuberculosis RuvA, a protein involved in recombination. ACTA CRYSTALLOGR.,SECT.F, 62, 2006
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5J7D
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![BU of 5j7d by Molmil](/molmil-images/mine/5j7d) | Computationally Designed Thioredoxin dF106 | Descriptor: | COPPER (II) ION, Designed Thioredoxin dF106 | Authors: | Horowitz, S, Johansen, N, Olsen, J.G, Winther, J.R. | Deposit date: | 2016-04-06 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational Redesign of Thioredoxin Is Hypersensitive toward Minor Conformational Changes in the Backbone Template. J.Mol.Biol., 428, 2016
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1PVZ
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![BU of 1pvz by Molmil](/molmil-images/mine/1pvz) | Solution Structure of BmP07, A Novel Potassium Channel Blocker from Scorpion Buthus martensi Karsch, 15 structures | Descriptor: | K+ toxin-like peptide | Authors: | Wu, H, Zhang, N, Wang, Y, Zhang, Q, Ou, L, Li, M, Hu, G. | Deposit date: | 2003-06-29 | Release date: | 2004-05-18 | Last modified: | 2018-06-20 | Method: | SOLUTION NMR | Cite: | Solution structure of BmKK2, a new potassium channel blocker from the venom of chinese scorpion Buthus martensi Karsch PROTEINS, 55, 2004
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2D27
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![BU of 2d27 by Molmil](/molmil-images/mine/2d27) | Structure of the N-terminal domain of XpsE (crystal form I4122) | Descriptor: | type II secretion ATPase XpsE | Authors: | Chen, Y, Shiue, S.-J, Huang, C.-W, Chang, J.-L, Chien, Y.-L, Hu, N.-T, Chan, N.-L. | Deposit date: | 2005-09-03 | Release date: | 2005-09-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure and Function of the XpsE N-Terminal Domain, an Essential Component of the Xanthomonas campestris Type II Secretion System J.Biol.Chem., 280, 2005
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2D28
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![BU of 2d28 by Molmil](/molmil-images/mine/2d28) | Structure of the N-terminal domain of XpsE (crystal form P43212) | Descriptor: | CACODYLATE ION, type II secretion ATPase XpsE | Authors: | Chen, Y, Shiue, S.-J, Huang, C.-W, Chang, J.-L, Chien, Y.-L, Hu, N.-T, Chan, N.-L. | Deposit date: | 2005-09-03 | Release date: | 2005-09-20 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Function of the XpsE N-Terminal Domain, an Essential Component of the Xanthomonas campestris Type II Secretion System J.Biol.Chem., 280, 2005
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