1L7Y
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![BU of 1l7y by Molmil](/molmil-images/mine/1l7y) | Solution NMR Structure of C. elegans Protein ZK652.3. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET WR41. | Descriptor: | HYPOTHETICAL PROTEIN ZK652.3 | Authors: | Cort, J.R, Chiang, Y, Zheng, D, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2002-03-18 | Release date: | 2002-08-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of conserved eukaryotic protein ZK652.3 from C. elegans: a ubiquitin-like fold. Proteins, 48, 2002
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5CT4
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![BU of 5ct4 by Molmil](/molmil-images/mine/5ct4) | Wild-type Bacillus subtilis lipase A with 5% [BMIM][Cl] | Descriptor: | 1-butyl-3-methyl-1H-imidazol-3-ium, CHLORIDE ION, Esterase, ... | Authors: | Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Chembiochem, 16, 2015
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5CUR
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![BU of 5cur by Molmil](/molmil-images/mine/5cur) | G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 20% [BMIM][Cl] | Descriptor: | 1-butyl-3-methyl-1H-imidazol-3-ium, CHLORIDE ION, Esterase | Authors: | Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L. | Deposit date: | 2015-07-24 | Release date: | 2015-11-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.302 Å) | Cite: | Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Chembiochem, 16, 2015
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5CXS
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![BU of 5cxs by Molmil](/molmil-images/mine/5cxs) | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Purine nucleoside phosphorylase | Authors: | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2015-07-29 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs. PLoS ONE, 13, 2018
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5DJ8
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![BU of 5dj8 by Molmil](/molmil-images/mine/5dj8) | Fc Heterodimer Design 7.7 D399M/Y407A + T366V/K409I | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-01 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5DJC
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![BU of 5djc by Molmil](/molmil-images/mine/5djc) | Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F | Descriptor: | Fc-III peptide, IODIDE ION, Ig gamma-1 chain C region, ... | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-01 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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1KMS
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![BU of 1kms by Molmil](/molmil-images/mine/1kms) | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9439), A LIPOPHILIC ANTIFOLATE | Descriptor: | 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W. | Deposit date: | 2001-12-17 | Release date: | 2002-07-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution. J.Mol.Biol., 320, 2002
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5DVK
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![BU of 5dvk by Molmil](/molmil-images/mine/5dvk) | Fc Design 7.7 B chain homodimer T366V/K409I | Descriptor: | Ig gamma-1 chain C region | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-21 | Release date: | 2016-03-30 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5DW5
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![BU of 5dw5 by Molmil](/molmil-images/mine/5dw5) | |
5E0E
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![BU of 5e0e by Molmil](/molmil-images/mine/5e0e) | |
1N9B
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![BU of 1n9b by Molmil](/molmil-images/mine/1n9b) | Ultrahigh resolution structure of a class A beta-lactamase: On the mechanism and specificity of the extended-spectrum SHV-2 enzyme | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-LACTAMASE SHV-2, ... | Authors: | Nukaga, M, Mayama, K, Hujer, A.M, Bonomo, R.A, Knox, J.R. | Deposit date: | 2002-11-22 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Ultrahigh resolution structure of a class A beta-lactamase: On the mechanism and specificity of the extended-spectrum SHV-2 enzyme J.Mol.Biol., 328, 2003
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5DVM
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![BU of 5dvm by Molmil](/molmil-images/mine/5dvm) | Fc Design 20.8.37 B chain homodimer E357D/S364R/Y407A | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-21 | Release date: | 2016-03-30 | Last modified: | 2016-07-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5DW6
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![BU of 5dw6 by Molmil](/molmil-images/mine/5dw6) | |
1NE3
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![BU of 1ne3 by Molmil](/molmil-images/mine/1ne3) | Solution structure of ribosomal protein S28E from Methanobacterium Thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH0256_1_68; Northeast Structural Genomics Target TT744 | Descriptor: | 30S ribosomal protein S28E | Authors: | Wu, B, Pineda-Lucena, A, Yee, A, Cort, J.R, Ramelot, T.A, Kennedy, M, Edwards, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2002-12-10 | Release date: | 2003-12-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of ribosomal protein S28E from Methanobacterium thermoautotrophicum. Protein Sci., 12, 2003
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5E16
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![BU of 5e16 by Molmil](/molmil-images/mine/5e16) | Co-crystal structure of the N-termial cGMP binding domain of Plasmodium falciparum PKG with cGMP | Descriptor: | CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE | Authors: | El Bakkouri, M, Walker, J.R, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-29 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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5DJ6
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![BU of 5dj6 by Molmil](/molmil-images/mine/5dj6) | Fc Heterodimer Design 6.1 F405W/Y407A + T366M | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-01 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5DVL
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![BU of 5dvl by Molmil](/molmil-images/mine/5dvl) | Fc Design 20.8.37 A chain homodimer Y349S/T366M/K370Y/K409V | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-21 | Release date: | 2016-03-30 | Last modified: | 2016-07-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5DW4
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![BU of 5dw4 by Molmil](/molmil-images/mine/5dw4) | |
5E54
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![BU of 5e54 by Molmil](/molmil-images/mine/5e54) | Two apo structures of the adenine riboswitch aptamer domain determined using an X-ray free electron laser | Descriptor: | MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, adenine riboswitch aptamer domain | Authors: | Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H. | Deposit date: | 2015-10-07 | Release date: | 2016-11-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography. Nature, 541, 2017
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5DJY
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![BU of 5djy by Molmil](/molmil-images/mine/5djy) | Fc Heterodimer Design 20.8 Y349S/T366V/K370Y/K409V + E357D/S364Q/Y407A | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-02 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5E93
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![BU of 5e93 by Molmil](/molmil-images/mine/5e93) | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0071 | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, CACODYLATE ION, ... | Authors: | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | Deposit date: | 2015-10-14 | Release date: | 2016-10-19 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity To be Published
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1LFM
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![BU of 1lfm by Molmil](/molmil-images/mine/1lfm) | CRYSTAL STRUCTURE OF COBALT(III)-SUBSTITUTED CYTOCHROME C (TUNA) | Descriptor: | CYTOCHROME C, PROTOPORPHYRIN IX CONTAINING CO | Authors: | Tezcan, F.A, Findley, W.M, Crane, B.R, Ross, S.A, Lyubovitsky, J.G, Gray, H.B, Winkler, J.R. | Deposit date: | 2002-04-11 | Release date: | 2002-07-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Using deeply trapped intermediates to map the cytochrome c folding landscape. Proc.Natl.Acad.Sci.USA, 99, 2002
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5EA9
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![BU of 5ea9 by Molmil](/molmil-images/mine/5ea9) | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130 | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, COBALT HEXAMMINE(III), ... | Authors: | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | Deposit date: | 2015-10-15 | Release date: | 2016-10-19 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity To be Published
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5EAL
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![BU of 5eal by Molmil](/molmil-images/mine/5eal) | Crystal structure of human WDR5 in complex with compound 9h | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide, CHLORIDE ION, ... | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-16 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human WDR5 in complex with compound 9h to be published
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1L5J
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![BU of 1l5j by Molmil](/molmil-images/mine/1l5j) | CRYSTAL STRUCTURE OF E. COLI ACONITASE B. | Descriptor: | ACONITATE ION, Aconitate hydratase 2, FE3-S4 CLUSTER | Authors: | Williams, C.H, Stillman, T.J, Barynin, V.V, Sedelnikova, S.E, Tang, Y, Green, J, Guest, J.R, Artymiuk, P.J. | Deposit date: | 2002-03-07 | Release date: | 2002-06-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | E. coli aconitase B structure reveals a HEAT-like domain with implications for protein-protein recognition. Nat.Struct.Biol., 9, 2002
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