2N4E
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![BU of 2n4e by Molmil](/molmil-images/mine/2n4e) | Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34 | Descriptor: | OR34 | Authors: | Liu, G, Chan, K, Basanta, B, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-06-17 | Release date: | 2015-12-09 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34 To be Published
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6I6W
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4HPC
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6RHL
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![BU of 6rhl by Molmil](/molmil-images/mine/6rhl) | Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-04-22 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Are crystallographic B-factors suitable for calculating protein conformational entropy? Phys Chem Chem Phys, 21, 2019
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6RZ2
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![BU of 6rz2 by Molmil](/molmil-images/mine/6rz2) | SalL with Chloroadenosine | Descriptor: | 5'-CHLORO-5'-DEOXYADENOSINE, Adenosyl-chloride synthase | Authors: | McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G. | Deposit date: | 2019-06-12 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation. Angew.Chem.Int.Ed.Engl., 58, 2019
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4HPB
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2N41
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![BU of 2n41 by Molmil](/molmil-images/mine/2n41) | Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34 | Descriptor: | OR34 | Authors: | Liu, G, Chan, K, Basanta, B, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-06-16 | Release date: | 2016-03-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34 To be Published
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4XZY
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![BU of 4xzy by Molmil](/molmil-images/mine/4xzy) | Crystal structure of dipeptidyl peptidase 11 (DPP11) from Porphyromonas gingivalis | Descriptor: | GLYCEROL, Peptidase S46 | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | Deposit date: | 2015-02-05 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity. Sci Rep, 5, 2015
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6RZH
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![BU of 6rzh by Molmil](/molmil-images/mine/6rzh) | Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.947 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
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4HWY
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![BU of 4hwy by Molmil](/molmil-images/mine/4hwy) | Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H. | Deposit date: | 2012-11-09 | Release date: | 2012-12-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser. Science, 339, 2013
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4Y01
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![BU of 4y01 by Molmil](/molmil-images/mine/4y01) | Crystal structure of dipeptidyl peptidase 11 (DPP11) from Porphyromonas gingivalis | Descriptor: | GLYCEROL, Peptidase S46 | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | Deposit date: | 2015-02-05 | Release date: | 2015-07-15 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity. Sci Rep, 5, 2015
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4Y02
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![BU of 4y02 by Molmil](/molmil-images/mine/4y02) | Crystal structure of dipeptidyl peptidase 11 (DPP11) from Porphyromonas gingivalis (Ground) | Descriptor: | GLYCEROL, POTASSIUM ION, Peptidase S46 | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | Deposit date: | 2015-02-05 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity. Sci Rep, 5, 2015
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4Y06
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![BU of 4y06 by Molmil](/molmil-images/mine/4y06) | Crystal structure of the DAP BII (G675R) dipeptide complex | Descriptor: | Dipeptidyl aminopeptidase BII, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Sakamoto, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | Deposit date: | 2015-02-05 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity. Sci Rep, 5, 2015
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4HPD
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6SF5
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![BU of 6sf5 by Molmil](/molmil-images/mine/6sf5) | Mn-containing form of the ribonucleotide reductase NrdB protein from Leeuwenhoekiella blandensis | Descriptor: | MANGANESE (II) ION, Ribonucleoside-diphosphate reductase, beta subunit 1 | Authors: | Hasan, M, Rozman Grinberg, I, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2019-08-01 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Class Id ribonucleotide reductase utilizes a Mn2(IV,III) cofactor and undergoes large conformational changes on metal loading. J.Biol.Inorg.Chem., 24, 2019
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6SF4
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![BU of 6sf4 by Molmil](/molmil-images/mine/6sf4) | Apo form of the ribonucleotide reductase NrdB protein from Leeuwenhoekiella blandensis | Descriptor: | Ribonucleoside-diphosphate reductase, beta subunit 1 | Authors: | Hasan, M, Rozman Grinberg, I, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2019-07-31 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Class Id ribonucleotide reductase utilizes a Mn2(IV,III) cofactor and undergoes large conformational changes on metal loading. J.Biol.Inorg.Chem., 24, 2019
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4Y5V
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![BU of 4y5v by Molmil](/molmil-images/mine/4y5v) | Diabody 305 complex with EpoR | Descriptor: | DI(HYDROXYETHYL)ETHER, Diabody 305 VL domain, Erythropoietin receptor, ... | Authors: | Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C. | Deposit date: | 2015-02-12 | Release date: | 2015-04-29 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands. Cell, 160, 2015
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6SLE
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![BU of 6sle by Molmil](/molmil-images/mine/6sle) | Structure of Reductive Aminase from Neosartorya fumigata in complex with NADP+ | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, putative | Authors: | Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G. | Deposit date: | 2019-08-19 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases. Chem Sci, 11, 2020
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6HGK
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6HUH
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![BU of 6huh by Molmil](/molmil-images/mine/6huh) | CRYSTAL STRUCTURE OF OXA-427 class D BETA-LACTAMASE | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Zavala, A, Retailleau, P, Bogaerts, P, Glupczynski, Y, Naas, T, Iorga, B. | Deposit date: | 2018-10-08 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | CRYSTAL STRUCTURE OF CMY-OXA-427-HisTag BETA-LACTAMASE To be published
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6SQ8
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![BU of 6sq8 by Molmil](/molmil-images/mine/6sq8) | Structure of amide bond synthetase McbA from Marinactinospora thermotolerans | Descriptor: | 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid, ADENOSINE MONOPHOSPHATE, Fatty acid CoA ligase | Authors: | Rowlinson, B, Petchey, M, Grogan, G. | Deposit date: | 2019-09-03 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Biocatalytic Synthesis of Moclobemide Using the Amide Bond Synthetase McbA Coupled with an ATP Recycling System. Acs Catalysis, 10, 2020
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6I04
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![BU of 6i04 by Molmil](/molmil-images/mine/6i04) | Crystal structure of Sema domain of the Met receptor in complex with FAB | Descriptor: | Fab heavy chain, Fab light chain, Hepatocyte growth factor receptor | Authors: | Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G. | Deposit date: | 2018-10-25 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM. Proc.Natl.Acad.Sci.USA, 116, 2019
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2OQX
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![BU of 2oqx by Molmil](/molmil-images/mine/2oqx) | Crystal Structure of the apo form of E. coli tryptophanase at 1.9 A resolution | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Goldgur, Y, Kogan, A, Gdalevsky, G, Parola, A, Cohen-Luria, R, Almog, O. | Deposit date: | 2007-02-01 | Release date: | 2007-02-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of apo tryptophanase from Escherichia coli reveals a wide-open conformation. Acta Crystallogr.,Sect.D, 63, 2007
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6HF2
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![BU of 6hf2 by Molmil](/molmil-images/mine/6hf2) | The structure of BoMan26B, a GH26 beta-mannanase from Bacteroides ovatus | Descriptor: | CALCIUM ION, CHLORIDE ION, Glycosyl hydrolase family 26 | Authors: | Bagenholm, V, Logan, D.T, Stalbrand, H. | Deposit date: | 2018-08-21 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A surface-exposed GH26 beta-mannanase fromBacteroides ovatus: Structure, role, and phylogenetic analysis ofBoMan26B. J.Biol.Chem., 294, 2019
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6HF4
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![BU of 6hf4 by Molmil](/molmil-images/mine/6hf4) | The structure of BoMan26B, a GH26 beta-mannanase from Bacteroides ovatus, complexed with G1M4 | Descriptor: | CALCIUM ION, CHLORIDE ION, Glycosyl hydrolase family 26, ... | Authors: | Bagenholm, V, Logan, D.T, Stalbrand, H. | Deposit date: | 2018-08-21 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | A surface-exposed GH26 beta-mannanase fromBacteroides ovatus: Structure, role, and phylogenetic analysis ofBoMan26B. J.Biol.Chem., 294, 2019
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