7NT0
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![BU of 7nt0 by Molmil](/molmil-images/mine/7nt0) | Drosophila PGRP-LB Y78F mutant in complex with tracheal cytotoxin (TCT) | Descriptor: | GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, Isoform A of Peptidoglycan-recognition protein LB, ZINC ION | Authors: | Orlans, J, Aller, P, Da Silva, P. | Deposit date: | 2021-03-08 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | PGRP-LB: An Inside View into the Mechanism of the Amidase Reaction. Int J Mol Sci, 22, 2021
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1G7L
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![BU of 1g7l by Molmil](/molmil-images/mine/1g7l) | CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME (HEL) COMPLEXED WITH THE MUTANT ANTI-HEL MONOCLONAL ANTIBODY D1.3 (VLW92S) | Descriptor: | ANTI-HEN EGG WHITE LYSOZYME MONOCLONAL ANTIBODY D1.3, LYSOZYME C | Authors: | Sundberg, E.J, Urrutia, M, Braden, B.C, Isern, J, Mariuzza, R.A. | Deposit date: | 2000-11-10 | Release date: | 2000-11-22 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Estimation of the hydrophobic effect in an antigen-antibody protein-protein interface. Biochemistry, 39, 2000
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2P62
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![BU of 2p62 by Molmil](/molmil-images/mine/2p62) | Crystal structure of hypothetical protein PH0156 from Pyrococcus horikoshii OT3 | Descriptor: | Hypothetical protein PH0156 | Authors: | Fu, Z.-Q, Chen, L, Zhu, J, Swindell, J.T, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Chrzas, J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-16 | Release date: | 2007-04-17 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of hypothetical protein PH0156 from Pyrococcus horikoshii OT3 To be Published
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2P7E
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![BU of 2p7e by Molmil](/molmil-images/mine/2p7e) | Vanadate at the Active Site of a Small Ribozyme Suggests a Role for Water in Transition-State Stabilization | Descriptor: | 3' substrate strand, octameric fragment, 5' substrate strand, ... | Authors: | Torelli, A.T, Krucinska, J, Wedekind, J.E. | Deposit date: | 2007-03-20 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A comparison of vanadate to a 2'-5' linkage at the active site of a small ribozyme suggests a role for water in transition-state stabilization Rna, 13, 2007
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2P6F
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3FOL
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![BU of 3fol by Molmil](/molmil-images/mine/3fol) | Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide VNDIFERI | Descriptor: | 8 residue synthetic peptide, Beta-2-microglobulin, MHC | Authors: | Brims, D.R, Qian, J, Jarchum, I, Yamada, T, Mikesh, L, Palmieri, E, Lund, T, Hattori, M, Shabanowitz, J, Hunt, D.F, Ramagopal, U.A, Malashkevich, V.N, Almo, S.C, Nathenson, S.G, DiLorenzo, T.P. | Deposit date: | 2008-12-30 | Release date: | 2010-01-12 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Predominant occupation of the class I MHC molecule H-2Kwm7 with a single self-peptide suggests a mechanism for its diabetes-protective effect Int.Immunol., 22, 2010
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3KPX
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![BU of 3kpx by Molmil](/molmil-images/mine/3kpx) | Crystal Structure Analysis of photoprotein clytin | Descriptor: | Apophotoprotein clytin-3, C2-HYDROPEROXY-COELENTERAZINE, CALCIUM ION | Authors: | Titushin, M.S, Li, Y, Stepanyuk, G.A, Wang, B.-C, Lee, J, Vysotski, E.S, Liu, Z.-J. | Deposit date: | 2009-11-17 | Release date: | 2010-10-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | NMR derived topology of a GFP-photoprotein energy transfer complex J.Biol.Chem., 285, 2010
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7NWL
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![BU of 7nwl by Molmil](/molmil-images/mine/7nwl) | Cryo-EM structure of human integrin alpha5beta1 (open form) in complex with fibronectin and TS2/16 Fv-clasp | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-5, ... | Authors: | Schumacher, S, Dedden, D, Vazquez Nunez, R, Matoba, K, Takagi, J, Biertumpfel, C, Mizuno, N. | Deposit date: | 2021-03-17 | Release date: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into integrin alpha 5 beta 1 opening by fibronectin ligand. Sci Adv, 7, 2021
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1SEZ
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![BU of 1sez by Molmil](/molmil-images/mine/1sez) | Crystal Structure of Protoporphyrinogen IX Oxidase | Descriptor: | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, 4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Koch, M, Breithaupt, C, Kiefersauer, R, Freigang, J, Huber, R, Messerschmidt, A. | Deposit date: | 2004-02-19 | Release date: | 2004-04-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of protoporphyrinogen IX oxidase: a key enzyme in haem and chlorophyll biosynthesis. Embo J., 23, 2004
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7O2Z
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![BU of 7o2z by Molmil](/molmil-images/mine/7o2z) | Crystal structure of the anti-PAS Fab 2.2 in complex with its epitope peptide | Descriptor: | CHLORIDE ION, P/A#1 epitope peptide, anti-PAS Fab 2.2 chimeric heavy chain, ... | Authors: | Schilz, J, Schiefner, A, Skerra, A. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope. J.Mol.Biol., 433, 2021
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3FLG
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![BU of 3flg by Molmil](/molmil-images/mine/3flg) | The PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 beta | Descriptor: | DNA (cytosine-5)-methyltransferase 3B | Authors: | Amaya, M.F, Zeng, H, MacKenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-18 | Release date: | 2009-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 beta To be Published
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7O33
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![BU of 7o33 by Molmil](/molmil-images/mine/7o33) | Crystal structure of the anti-PAS Fab 3.1 in complex with its epitope peptide | Descriptor: | APSA epitope peptide, anti-PAS Fab 3.1 chimeric heavy chain, anti-PAS Fab 3.1 chimeric light chain | Authors: | Schilz, J, Skerra, A. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope. J.Mol.Biol., 433, 2021
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7ODG
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1G35
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![BU of 1g35 by Molmil](/molmil-images/mine/1g35) | CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR, AHA024 | Descriptor: | 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL, HIV-1 PROTEASE | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2000-10-23 | Release date: | 2001-06-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors. J.Med.Chem., 44, 2001
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3T3M
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![BU of 3t3m by Molmil](/molmil-images/mine/3t3m) | A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Zhu, J, Zhu, J, Springer, T.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS Sci Transl Med, 4, 2012
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1RZY
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![BU of 1rzy by Molmil](/molmil-images/mine/1rzy) | Crystal structure of rabbit Hint complexed with N-ethylsulfamoyladenosine | Descriptor: | 5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE, Histidine triad nucleotide-binding protein 1 | Authors: | Krakowiak, A.K, Pace, H.C, Blackburn, G.M, Adams, M, Mekhalfia, A, Kaczmarek, R, Baraniak, J, Stec, W.J, Brenner, C. | Deposit date: | 2003-12-29 | Release date: | 2004-03-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical, crystallographic, and mutagenic characterization of hint, the AMP-lysine hydrolase, with novel substrates and inhibitors J.Biol.Chem., 279, 2004
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2P7D
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![BU of 2p7d by Molmil](/molmil-images/mine/2p7d) | A Minimal, 'Hinged' Hairpin Ribozyme Construct Solved with Mimics of the Product Strands at 2.25 Angstroms Resolution | Descriptor: | 3' substrate strand, octameric fragment, 5' substrate strand, ... | Authors: | Torelli, A.T, Krucinska, J, Wedekind, J.E. | Deposit date: | 2007-03-20 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A comparison of vanadate to a 2'-5' linkage at the active site of a small ribozyme suggests a role for water in transition-state stabilization Rna, 13, 2007
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6C1U
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![BU of 6c1u by Molmil](/molmil-images/mine/6c1u) | MBD2 in complex with a deoxy-oligonucleotide | Descriptor: | 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | Authors: | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-01-05 | Release date: | 2018-02-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA. J. Biol. Chem., 293, 2018
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6BPU
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![BU of 6bpu by Molmil](/molmil-images/mine/6bpu) | Crystal structure of ferrous form of the F2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2017-11-26 | Release date: | 2018-07-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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7OJ8
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![BU of 7oj8 by Molmil](/molmil-images/mine/7oj8) | ABCG2 E1S turnover-2 state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | Authors: | Ni, D, Yu, Q, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | Deposit date: | 2021-05-14 | Release date: | 2021-07-21 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism. Nat Commun, 12, 2021
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4QTK
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![BU of 4qtk by Molmil](/molmil-images/mine/4qtk) | Complex of WOPR domain of Wor1 in Candida albicans with the 17bp dsDNA | Descriptor: | DNA (5'-D(*AP*AP*GP*TP*TP*AP*AP*AP*CP*TP*TP*TP*TP*TP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*AP*AP*AP*AP*AP*GP*TP*TP*TP*AP*AP*CP*TP*T)-3'), White-opaque regulator 1 | Authors: | Zhang, S, Zhang, T, Ding, J. | Deposit date: | 2014-07-08 | Release date: | 2014-08-13 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal structure of the WOPR-DNA complex and implications for Wor1 function in white-opaque switching of Candida albicans. Cell Res., 24, 2014
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6BIM
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7OT0
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![BU of 7ot0 by Molmil](/molmil-images/mine/7ot0) | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4h | Descriptor: | 3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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7OSY
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![BU of 7osy by Molmil](/molmil-images/mine/7osy) | Human Prolyl-tRNA Synthetase in Complex with L-proline | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, PROLINE, STRONTIUM ION, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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7OT1
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![BU of 7ot1 by Molmil](/molmil-images/mine/7ot1) | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 3c | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, PROLINE, STRONTIUM ION, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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