2YAW
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![BU of 2yaw by Molmil](/molmil-images/mine/2yaw) | HG INHIBITED SULFUR OXYGENASE REDUCTASE | Descriptor: | ACETATE ION, FE (III) ION, MERCURY (II) ION, ... | Authors: | Veith, A, Urich, T, Seyfarth, K, Protze, J, Frazao, C, Kletzin, A. | Deposit date: | 2011-02-25 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Substrate Pathways and Mechanisms of Inhibition in the Sulfur Oxygenase Reductase of Acidianus Ambivalens. Front.Microbiol., 2, 2011
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5DNA
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![BU of 5dna by Molmil](/molmil-images/mine/5dna) | Crystal structure of Candida boidinii formate dehydrogenase | Descriptor: | FORMATE DEHYDROGENASE, SULFATE ION | Authors: | Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A. | Deposit date: | 2015-09-09 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii. Biochemistry, 55, 2016
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6QZA
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![BU of 6qza by Molmil](/molmil-images/mine/6qza) | HLA-DR1 with GMF Influenza PB1 Peptide | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ... | Authors: | Greenshields-Watson, A, Rizkallah, P.J. | Deposit date: | 2019-03-11 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features. Cell Rep, 32, 2020
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6QSW
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![BU of 6qsw by Molmil](/molmil-images/mine/6qsw) | Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. | Descriptor: | Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | Deposit date: | 2019-02-22 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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7M92
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![BU of 7m92 by Molmil](/molmil-images/mine/7m92) | |
5DK2
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![BU of 5dk2 by Molmil](/molmil-images/mine/5dk2) | Fc Heterodimer E356K/D399K + K392D/K409D | 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)-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 (2.6 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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7MH7
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![BU of 7mh7 by Molmil](/molmil-images/mine/7mh7) | |
4OEP
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![BU of 4oep by Molmil](/molmil-images/mine/4oep) | |
5DJZ
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![BU of 5djz by Molmil](/molmil-images/mine/5djz) | Fc Heterodimer Design 7.8 D399M/Y407A + T366V/K409V | 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 (1.9 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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7MHL
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![BU of 7mhl by Molmil](/molmil-images/mine/7mhl) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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2YIX
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![BU of 2yix by Molmil](/molmil-images/mine/2yix) | Triazolopyridine Inhibitors of p38 | Descriptor: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | Deposit date: | 2011-05-17 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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7MHM
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![BU of 7mhm by Molmil](/molmil-images/mine/7mhm) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5302 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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5DVN
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![BU of 5dvn by Molmil](/molmil-images/mine/5dvn) | Fc K392D/K409D homodimer | 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 (2.5 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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6KKV
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6KFD
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![BU of 6kfd by Molmil](/molmil-images/mine/6kfd) | Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis, complexed with iodoacetate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hydroxynitrile lyase, iodoacetic acid | Authors: | Motojima, F, Izumi, A, Asano, Y. | Deposit date: | 2019-07-07 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines. Febs J., 288, 2021
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2FSR
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![BU of 2fsr by Molmil](/molmil-images/mine/2fsr) | Crystal Structure of the Acetyltransferase from Agrobacterium tumefaciens str. C58 | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, acetyltransferase | Authors: | Kim, Y, Joachimiak, A, Xu, X, Gu, J, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-01-23 | Release date: | 2006-03-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal Structure of the Acetyltransferase from Agrobacterium tumefaciens str. C58 To be Published
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2G39
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![BU of 2g39 by Molmil](/molmil-images/mine/2g39) | Crystal structure of coenzyme A transferase from Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Acetyl-CoA hydrolase | Authors: | Chang, C, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-02-17 | Release date: | 2006-04-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of coenzyme A transferase from Pseudomonas aeruginosa To be Published
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6KFC
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![BU of 6kfc by Molmil](/molmil-images/mine/6kfc) | Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis, complexed with cyanide ion | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYANIDE ION, Hydroxynitrile lyase, ... | Authors: | Motojima, F, Izumi, A, Asano, Y. | Deposit date: | 2019-07-07 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines. Febs J., 288, 2021
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2FRE
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![BU of 2fre by Molmil](/molmil-images/mine/2fre) | The crystal structure of the oxidoreductase containing FMN | Descriptor: | FLAVIN MONONUCLEOTIDE, NAD(P)H-flavin oxidoreductase | Authors: | Zhang, R, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-01-19 | Release date: | 2006-03-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of the oxidoreductase containing FMN from Agrobacterium tumefaciens To be Published
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3H6A
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![BU of 3h6a by Molmil](/molmil-images/mine/3h6a) | |
6KD5
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![BU of 6kd5 by Molmil](/molmil-images/mine/6kd5) | Crystal structure of the extracellular domain of MSPL/TMPRSS13 in complex with dec-RVKR-cmk inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE INHIBITOR, ... | Authors: | Ohno, A, Maita, N, Okumura, Y, Nikawa, T. | Deposit date: | 2019-06-30 | Release date: | 2020-06-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of inhibitor-bound human MSPL that can activate high pathogenic avian influenza. Life Sci Alliance, 4, 2021
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6K7E
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![BU of 6k7e by Molmil](/molmil-images/mine/6k7e) | |
6KFA
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![BU of 6kfa by Molmil](/molmil-images/mine/6kfa) | Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis bound with acetate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hydroxynitrile lyase | Authors: | Motojima, F, Izumi, A, Asano, Y. | Deposit date: | 2019-07-07 | Release date: | 2020-07-08 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines. Febs J., 288, 2021
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3UMP
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![BU of 3ump by Molmil](/molmil-images/mine/3ump) | Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with Cesium and ATP | Descriptor: | 6-phosphofructokinase isozyme 2, ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, ... | Authors: | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Garratt, R.C, Babul, J. | Deposit date: | 2011-11-14 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | A Ribokinase Family Conserved Monovalent Cation Binding Site Enhances the MgATP-induced Inhibition in E. coli Phosphofructokinase-2 Biophys.J., 105, 2013
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6KFB
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![BU of 6kfb by Molmil](/molmil-images/mine/6kfb) | Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis bound with thiocyanate | Descriptor: | Hydroxynitrile lyase, THIOCYANATE ION, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Motojima, F, Izumi, A, Asano, Y. | Deposit date: | 2019-07-07 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines. Febs J., 288, 2021
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