3DRI
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![BU of 3dri by Molmil](/molmil-images/mine/3dri) | Crystal structure of Lactococcal OppA co-crystallized with an octamer peptide in an open conformation | Descriptor: | Oligopeptide-binding protein oppA, peptide AASASA | Authors: | Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J. | Deposit date: | 2008-07-11 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structural basis for peptide selection by the transport receptor OppA Embo J., 28, 2009
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6SS1
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![BU of 6ss1 by Molmil](/molmil-images/mine/6ss1) | Kemp Eliminase HG3.17 mutant Q50A, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 Q50A, E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole, ... | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | Deposit date: | 2019-09-06 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency Acs Catalysis, 2020
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8AB2
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![BU of 8ab2 by Molmil](/molmil-images/mine/8ab2) | Crystal Structure of the Lactate Dehydrogenase of Cyanobacterium Aponinum in its apo form. | Descriptor: | 1,2-ETHANEDIOL, L-lactate dehydrogenase, TERBIUM(III) ION, ... | Authors: | Robin, A.Y, Girard, E, Madern, D. | Deposit date: | 2022-07-04 | Release date: | 2022-08-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Deciphering Evolutionary Trajectories of Lactate Dehydrogenases Provides New Insights into Allostery. Mol.Biol.Evol., 40, 2023
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3IKG
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![BU of 3ikg by Molmil](/molmil-images/mine/3ikg) | Structure-Based Design of Novel PIN1 Inhibitors (I) | Descriptor: | (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Parge, H, Ferre, R.A, Greasley, S, Matthews, D. | Deposit date: | 2009-08-05 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure-based design of novel human Pin1 inhibitors (I). Bioorg.Med.Chem.Lett., 19, 2009
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8AUT
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![BU of 8aut by Molmil](/molmil-images/mine/8aut) | WelO5* L221A bound to Zn(II), Cl, 2-oxoglutarate, and 12-epi-hapalindole C | Descriptor: | 2-OXOGLUTARIC ACID, 3-[(1~{S},2~{R},3~{S},6~{S})-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1~{H}-indole, CHLORIDE ION, ... | Authors: | Buller, R, Hueppi, S, Voss, M, Schaub, D. | Deposit date: | 2022-08-25 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.685 Å) | Cite: | Enzyme engineering enables inversion of substrate stereopreference of the halogenase WelO5* Chemcatchem, 2022
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6STB
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![BU of 6stb by Molmil](/molmil-images/mine/6stb) | Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, Q64W mutant | Descriptor: | Major strawberry allergen Fra a 1-2 | Authors: | Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C. | Deposit date: | 2019-09-10 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits. J.Agric.Food Chem., 68, 2020
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2N2T
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![BU of 2n2t by Molmil](/molmil-images/mine/2n2t) | Solution NMR Structure of DE NOVO DESIGNED PROTEIN (FDA_60), Northeast Structural Genomics Consortium (NESG) Target OR303 | Descriptor: | OR303 | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Hamilton, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-05-14 | Release date: | 2015-09-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of DE NOVO DESIGNED PROTEIN (FDA_60), Northeast Structural Genomics Consortium (NESG) Target OR303 To be Published
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6SU6
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![BU of 6su6 by Molmil](/molmil-images/mine/6su6) | Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and UDP-glucose | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H. | Deposit date: | 2019-09-13 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering Acs Catalysis, 11, 2021
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8AF7
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![BU of 8af7 by Molmil](/molmil-images/mine/8af7) | Room temperature SSX crystal structure of CTX-M-14 (10K dataset) | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O. | Deposit date: | 2022-07-15 | Release date: | 2022-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive. Iucrj, 9, 2022
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3DO9
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![BU of 3do9 by Molmil](/molmil-images/mine/3do9) | Crystal structure of protein ba1542 from bacillus anthracis str.ames | Descriptor: | UPF0302 protein BA_1542/GBAA1542/BAS1430 | Authors: | Patskovsky, Y, Ozyurt, S, Freeman, J, Iizuka, M, Maletic, M, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-07-03 | Release date: | 2008-09-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of Protein Ba1542 from Bacillus Anthracis Str.Ames. To be Published
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8AF6
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![BU of 8af6 by Molmil](/molmil-images/mine/8af6) | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (4000 frames) | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | Deposit date: | 2022-07-15 | Release date: | 2022-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive. Iucrj, 9, 2022
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3IP8
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![BU of 3ip8 by Molmil](/molmil-images/mine/3ip8) | Crystal structure of arylmalonate decarboxylase (AMDase) from Bordatella bronchiseptic in complex with benzylphosphonate | Descriptor: | Arylmalonate decarboxylase, benzylphosphonic acid | Authors: | Okrasa, K, Levy, C, Leys, D, Micklefield, J. | Deposit date: | 2009-08-17 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Structure-Guided Directed Evolution of Alkenyl and Arylmalonate Decarboxylases. Angew.Chem.Int.Ed.Engl., 48, 2009
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3DRJ
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![BU of 3drj by Molmil](/molmil-images/mine/3drj) | Crystal structure of Lactococcal OppA co-crystallized with pTH-related peptide in an open conformation | Descriptor: | Oligopeptide-binding protein oppA, pTH-related peptide | Authors: | Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J. | Deposit date: | 2008-07-11 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The structural basis for peptide selection by the transport receptor OppA Embo J., 28, 2009
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6SYK
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![BU of 6syk by Molmil](/molmil-images/mine/6syk) | Guanine-rich oligonucleotide with 5'- and 3'-GC ends form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pair | Descriptor: | GCnCG | Authors: | Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P. | Deposit date: | 2019-09-30 | Release date: | 2020-07-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly. Nucleic Acids Res., 48, 2020
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2N3Z
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![BU of 2n3z by Molmil](/molmil-images/mine/2n3z) | Solution NMR Structure of de novo designed protein, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446 | Descriptor: | OR446 | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-06-15 | Release date: | 2015-09-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of DE NOVO DESIGNED PROTEIN, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446 To be Published
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2MQ8
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![BU of 2mq8 by Molmil](/molmil-images/mine/2mq8) | Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414 | Descriptor: | De novo designed protein LFR1 | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-06-12 | Release date: | 2014-08-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Control over overall shape and size in de novo designed proteins. Proc.Natl.Acad.Sci.USA, 112, 2015
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3IS5
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![BU of 3is5 by Molmil](/molmil-images/mine/3is5) | Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720 | Descriptor: | CALCIUM ION, Calcium-dependent protein kinase, GLYCEROL, ... | Authors: | Wernimont, A.K, Artz, J.D, Senisterra, G, MacKenzie, F, Hutchinson, A, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-25 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720 To be Published
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6SZY
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![BU of 6szy by Molmil](/molmil-images/mine/6szy) | Crystal structure of YTHDC1 with fragment 12 (DHU_DC1_150) | Descriptor: | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6T04
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![BU of 6t04 by Molmil](/molmil-images/mine/6t04) | Crystal structure of YTHDC1 with fragment 17 (DHU_DC1_042) | Descriptor: | 2-phenyl-4,5-dihydro-1~{H}-imidazole, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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1DZ6
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![BU of 1dz6 by Molmil](/molmil-images/mine/1dz6) | ferrous p450cam from pseudomonas putida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | Deposit date: | 2000-02-18 | Release date: | 2000-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution Science, 287, 2000
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3ITB
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![BU of 3itb by Molmil](/molmil-images/mine/3itb) | Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment | Descriptor: | D-alanyl-D-alanine carboxypeptidase DacC, Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL), SULFATE ION, ... | Authors: | Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K. | Deposit date: | 2009-08-27 | Release date: | 2009-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of penicillin-binding protein 6 from Escherichia coli. J.Am.Chem.Soc., 131, 2009
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2MV0
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![BU of 2mv0 by Molmil](/molmil-images/mine/2mv0) | Solution NMR Structure of Maltose-binding protein from Escherichia coli, Northeast Structural Genomics Consortium (NESG) Target ER690 | Descriptor: | Maltose-binding periplasmic protein | Authors: | Rossi, P, Lange, O.F, Sgourakis, N.G, Song, Y, Lee, H, Aramini, J.M, Ertekin, A, Xiao, R, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-09-18 | Release date: | 2014-12-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples. Proc.Natl.Acad.Sci.USA, 109, 2012
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1E44
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![BU of 1e44 by Molmil](/molmil-images/mine/1e44) | ribonuclease domain of colicin E3 in complex with its immunity protein | Descriptor: | 1,2-ETHANEDIOL, COLICIN E3, IMMUNITY PROTEIN | Authors: | Carr, S, Walker, D, James, R, Kleanthous, C, Hemmings, A.M. | Deposit date: | 2000-06-28 | Release date: | 2001-06-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibition of a Ribosome Inactivating Ribonuclease: The Crystal Structure of the Cytotoxic Domain of Colicin E3 in Complex with its Immunity Protein Structure, 8, 2000
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6T12
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![BU of 6t12 by Molmil](/molmil-images/mine/6t12) | Crystal structure of YTHDC1 with fragment 30 (DHU_DC1_220) | Descriptor: | SULFATE ION, YTHDC1, ~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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3DWC
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![BU of 3dwc by Molmil](/molmil-images/mine/3dwc) | Trypanosoma Cruzi Metallocarboxypeptidase 1 | Descriptor: | ALANINE, COBALT (II) ION, GLYCEROL, ... | Authors: | Niemirowicz, G, Fernandez, D, Sola, M, Cazzulo, J.J, Aviles, F.X, Gomis-Ruth, F.X. | Deposit date: | 2008-07-22 | Release date: | 2008-09-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The molecular analysis of Trypanosoma cruzi metallocarboxypeptidase 1 provides insight into fold and substrate specificity Mol.Microbiol., 70, 2008
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