4R1I
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1O32
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![BU of 1o32 by Molmil](/molmil-images/mine/1o32) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE, BETA-TRYPSIN, CALCIUM ION | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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1O38
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![BU of 1o38 by Molmil](/molmil-images/mine/1o38) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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1O3G
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![BU of 1o3g by Molmil](/molmil-images/mine/1o3g) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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1O3M
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![BU of 1o3m by Molmil](/molmil-images/mine/1o3m) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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6B0P
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![BU of 6b0p by Molmil](/molmil-images/mine/6b0p) | Zinc finger Domain of WT1(-KTS form) with 12+1mer Oligonucleotide with 3' Triplet GGT | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(P*AP*CP*CP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*TP*GP*GP*GP*AP*GP*GP*GP*T)-3'), ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-09-14 | Release date: | 2018-01-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.077 Å) | Cite: | Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites. Nucleic Acids Res., 46, 2018
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5VIC
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![BU of 5vic by Molmil](/molmil-images/mine/5vic) | Crystal structure of anti-Zika antibody Z004 bound to DENV-1 Envelope protein DIII | Descriptor: | Dengue 1 Envelope DIII domain, Fab heavy chain, Fab light chain | Authors: | Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2017-04-14 | Release date: | 2017-05-03 | Last modified: | 2017-05-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico. Cell, 169, 2017
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6ARH
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1NY4
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![BU of 1ny4 by Molmil](/molmil-images/mine/1ny4) | Solution structure of the 30S ribosomal protein S28E from Pyrococcus horikoshii. Northeast Structural Genomics Consortium target JR19. | Descriptor: | 30S ribosomal protein S28E | Authors: | Aramini, J.M, Cort, J.R, Huang, Y.J, Xiao, R, Acton, T.B, Ho, C.K, Shih, L.-Y, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-02-11 | Release date: | 2003-09-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the 30S ribosomal protein S28E from Pyrococcus horikoshii. Protein Sci., 12, 2003
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4QPW
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![BU of 4qpw by Molmil](/molmil-images/mine/4qpw) | BiXyn10A CBM1 with Xylohexaose Bound | Descriptor: | beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, glycosyl hydrolase family 10 | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2014-06-25 | Release date: | 2014-08-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes. Proc.Natl.Acad.Sci.USA, 111, 2014
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4QYR
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![BU of 4qyr by Molmil](/molmil-images/mine/4qyr) | Streptomyces platensis isomigrastatin ketosynthase domain MgsE KS3 | Descriptor: | ACETIC ACID, AT-less polyketide synthase, CHLORIDE ION, ... | Authors: | Kim, Y, Li, H, Endres, M, Babnigg, J, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-07-25 | Release date: | 2014-08-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.902 Å) | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4RE2
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![BU of 4re2 by Molmil](/molmil-images/mine/4re2) | Different transition state conformations for the hydrolysis of beta-mannosides and beta-glucosides in the rice Os7BGlu26 family GH1 beta-mannosidase/beta-glucosidase | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Tankrathok, A, Iglesias-Fernandez, J, Williams, R.J, Hakki, Z, Robinson, R.C, Hrmova, M, Rovira, C, Williams, S.J, Ketudat Cairns, J.R. | Deposit date: | 2014-09-21 | Release date: | 2015-09-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides ACS CATALYSIS, 5, 2015
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5UZA
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![BU of 5uza by Molmil](/molmil-images/mine/5uza) | Adenine riboswitch aptamer domain labelled with iodo-uridine by position-selective labelling of RNA (PLOR) | Descriptor: | ADENINE, MAGNESIUM ION, RNA (71-MER) | Authors: | Liu, Y, Stagno, J.R, Wang, Y.-X. | Deposit date: | 2017-02-25 | Release date: | 2018-02-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Incorporation of isotopic, fluorescent, and heavy-atom-modified nucleotides into RNAs by position-selective labeling of RNA. Nat Protoc, 13, 2018
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1P9S
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![BU of 1p9s by Molmil](/molmil-images/mine/1p9s) | Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Replicase polyprotein 1ab | Authors: | Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2003-05-12 | Release date: | 2003-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs Science, 300, 2003
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4POY
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![BU of 4poy by Molmil](/molmil-images/mine/4poy) | Engineered Dual Specific VHH antibody | Descriptor: | VHH-metal | Authors: | Fanning, S.W, Walter, R, Horn, J.R. | Deposit date: | 2014-02-26 | Release date: | 2014-09-24 | Last modified: | 2014-10-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site. Protein Eng.Des.Sel., 27, 2014
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4PPT
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1ONH
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![BU of 1onh by Molmil](/molmil-images/mine/1onh) | GC1 beta-lactamase with a penem inhibitor | Descriptor: | 7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID, GLYCEROL, class C beta-lactamase | Authors: | Nukaga, M, Nukaga, K, Knox, J.R. | Deposit date: | 2003-02-27 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate Biochemistry, 42, 2003
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4PLY
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![BU of 4ply by Molmil](/molmil-images/mine/4ply) | Crystal structure of ancestral apicomplexan malate dehydrogenase with malate. | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PYRUVIC ACID, malate dehydrogenase | Authors: | Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. | Deposit date: | 2014-05-19 | Release date: | 2014-07-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases. Elife, 3, 2014
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6DIG
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![BU of 6dig by Molmil](/molmil-images/mine/6dig) | Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide | Descriptor: | 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W. | Deposit date: | 2018-05-23 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls. Nat Commun, 10, 2019
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5UW3
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![BU of 5uw3 by Molmil](/molmil-images/mine/5uw3) | PCY1 in Complex with Follower Peptide | Descriptor: | CACODYLATE ION, Peptide cyclase 1, Presegetalin A1 | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2017-02-20 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V9P
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![BU of 5v9p by Molmil](/molmil-images/mine/5v9p) | Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | Descriptor: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5UZW
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1N42
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![BU of 1n42 by Molmil](/molmil-images/mine/1n42) | Crystal Structure of Annexin V R149E Mutant | Descriptor: | Annexin V, CALCIUM ION, SULFATE ION | Authors: | Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A. | Deposit date: | 2002-10-30 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Interfacial basic cluster in annexin V couples phospholipid binding and trimer formation on membrane surfaces J.Biol.Chem., 278, 2003
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1MQV
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![BU of 1mqv by Molmil](/molmil-images/mine/1mqv) | Crystal Structure of the Q1A/F32W/W72F mutant of Rhodopseudomonas palustris cytochrome c' (prime) expressed in E. coli | Descriptor: | CYTOCHROME C', HEME C | Authors: | Lee, J.C, Engman, K.C, Tezcan, F.A, Gray, H.B, Winkler, J.R. | Deposit date: | 2002-09-17 | Release date: | 2002-11-20 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural Features of Cytochrome c' Folding Intermediates Revealed by Fluorescence Energy-Transfer Kinetics Proc.Natl.Acad.Sci.USA, 99, 2002
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5SV4
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![BU of 5sv4 by Molmil](/molmil-images/mine/5sv4) | Anti-Ricin A-chain Single Domain Antibody A3C8 | Descriptor: | SULFATE ION, Single Domain Antibody A3C8 | Authors: | Compton, J.R, Legler, P.M. | Deposit date: | 2016-08-04 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Stability of isolated antibody-antigen complexes as a predictive tool for selecting toxin neutralizing antibodies. MAbs, 9, 2017
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