6HAR
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![BU of 6har by Molmil](/molmil-images/mine/6har) | Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C | Descriptor: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... | Authors: | Shahar, A, Cohen, I, Radisky, E, Papo, N. | Deposit date: | 2018-08-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin. J.Biol.Chem., 294, 2019
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1MDX
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![BU of 1mdx by Molmil](/molmil-images/mine/1mdx) | Crystal structure of ArnB transferase with pyridoxal 5' phosphate | Descriptor: | 2-OXOGLUTARIC ACID, ArnB aminotransferase, GLYCEROL, ... | Authors: | Noland, B.W, Newman, J.M, Hendle, J, Badger, J, Christopher, J.A, Tresser, J, Buchanan, M.D, Wright, T.A, Rutter, M.E, Sanderson, W.E, Muller-Dieckmann, H.-J, Gajiwala, K.S, Sauder, J.M, Buchanan, S.G. | Deposit date: | 2002-08-07 | Release date: | 2002-12-11 | Last modified: | 2018-12-26 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme Structure, 10, 2002
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1MK5
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![BU of 1mk5 by Molmil](/molmil-images/mine/1mk5) | Wildtype Core-Streptavidin with Biotin at 1.4A. | Descriptor: | BIOTIN, Streptavidin | Authors: | Hyre, D.E, Le Trong, I, Merritt, E.A, Green, N.M, Stenkamp, R.E, Stayton, P.S. | Deposit date: | 2002-08-28 | Release date: | 2003-09-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cooperative hydrogen bond interactions in the streptavidin-biotin system Protein Sci., 15, 2006
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3MM5
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![BU of 3mm5 by Molmil](/molmil-images/mine/3mm5) | Dissimilatory sulfite reductase in complex with the substrate sulfite | Descriptor: | IRON/SULFUR CLUSTER, SIROHEME, SULFITE ION, ... | Authors: | Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U. | Deposit date: | 2010-04-19 | Release date: | 2010-07-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus. Biochemistry, 49, 2010
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3LZQ
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![BU of 3lzq by Molmil](/molmil-images/mine/3lzq) | Crystal Structure Analysis of Manganese treated P19 protein from Campylobacter jejuni at 1.41 A at pH 9 | Descriptor: | COPPER (II) ION, MANGANESE (II) ION, P19 protein, ... | Authors: | Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P. | Deposit date: | 2010-03-01 | Release date: | 2010-07-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni. J.Mol.Biol., 401, 2010
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1SPG
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![BU of 1spg by Molmil](/molmil-images/mine/1spg) | |
1ACB
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![BU of 1acb by Molmil](/molmil-images/mine/1acb) | CRYSTAL AND MOLECULAR STRUCTURE OF THE BOVINE ALPHA-CHYMOTRYPSIN-EGLIN C COMPLEX AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | ALPHA-CHYMOTRYPSIN, Eglin C | Authors: | Bolognesi, M, Frigerio, F, Coda, A, Pugliese, L, Lionetti, C, Menegatti, E, Amiconi, G, Schnebli, H.P, Ascenzi, P. | Deposit date: | 1991-11-08 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal and molecular structure of the bovine alpha-chymotrypsin-eglin c complex at 2.0 A resolution. J.Mol.Biol., 225, 1992
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5DT3
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![BU of 5dt3 by Molmil](/molmil-images/mine/5dt3) | Aurora A Kinase in Complex with ATP in Space Group P6122 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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6U9K
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![BU of 6u9k by Molmil](/molmil-images/mine/6u9k) | MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | Descriptor: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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2CNG
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![BU of 2cng by Molmil](/molmil-images/mine/2cng) | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | Descriptor: | GLYCEROL, MAGNESIUM ION, N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE, ... | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | Deposit date: | 2006-05-21 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B. J.Biol.Chem., 281, 2006
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1SL9
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![BU of 1sl9 by Molmil](/molmil-images/mine/1sl9) | Obelin from Obelia longissima | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, Obelin | Authors: | Deng, L, Markova, S, Vysotski, E, Liu, Z.-J, Lee, J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-03-05 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Obelin from Obelia longissima To be Published
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6UDJ
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![BU of 6udj by Molmil](/molmil-images/mine/6udj) | HIV-1 bNAb 1-18 in complex with BG505 SOSIP.664 and 10-1074 | Descriptor: | 1-18 Fab Heavy Chain, 1-18 Fab Light Chain, 10-1074 Fab Heavy Chain, ... | Authors: | Abernathy, M.E, Barnes, C.O, Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2019-09-19 | Release date: | 2020-01-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Restriction of HIV-1 Escape by a Highly Broad and Potent Neutralizing Antibody. Cell, 180, 2020
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5EA8
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![BU of 5ea8 by Molmil](/molmil-images/mine/5ea8) | Crystal Structure of Prefusion RSV F Glycoprotein Fusion Inhibitor Resistance Mutant D489Y | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, D(-)-TARTARIC ACID, Fusion glycoprotein F0, ... | Authors: | Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. | Deposit date: | 2015-10-15 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular mechanism of respiratory syncytial virus fusion inhibitors. Nat.Chem.Biol., 12, 2016
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6UDK
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![BU of 6udk by Molmil](/molmil-images/mine/6udk) | HIV-1 bNAb 1-55 in complex with modified BG505 SOSIP-based immunogen RC1 and 10-1074 | Descriptor: | 1-55 Fab Heavy Chain, 1-55 Fab Light Chain, 10-1074 Fab Heavy Chain, ... | Authors: | Abernathy, M.E, Barnes, C.O, Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2019-09-19 | Release date: | 2020-01-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Restriction of HIV-1 Escape by a Highly Broad and Potent Neutralizing Antibody. Cell, 180, 2020
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2R9N
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![BU of 2r9n by Molmil](/molmil-images/mine/2r9n) | Cathepsin S complexed with Compound 26 | Descriptor: | Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
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3LZR
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![BU of 3lzr by Molmil](/molmil-images/mine/3lzr) | Crystal Structure Analysis of Manganese treated P19 protein from Campylobacter jejuni at 2.73 A at pH 9 and Manganese peak wavelength (1.893 A) | Descriptor: | COPPER (II) ION, MANGANESE (II) ION, P19 protein, ... | Authors: | Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P. | Deposit date: | 2010-03-01 | Release date: | 2010-07-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni. J.Mol.Biol., 401, 2010
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2R9O
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![BU of 2r9o by Molmil](/molmil-images/mine/2r9o) | Cathepsin S complexed with Compound 8 | Descriptor: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
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6TYS
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![BU of 6tys by Molmil](/molmil-images/mine/6tys) | A potent cross-neutralizing antibody targeting the fusion glycoprotein inhibits Nipah virus and Hendra virus infection | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5B3 antibody heavy chain, ... | Authors: | Dang, H.V, Chan, Y.P, Park, Y.J, Snijder, J, Da Silva, S.C, Vu, B, Yan, L, Feng, Y.R, Rockx, B, Geisbert, T, Mire, C.E, Broder, C.B, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-08-09 | Release date: | 2019-10-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | An antibody against the F glycoprotein inhibits Nipah and Hendra virus infections. Nat.Struct.Mol.Biol., 26, 2019
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1SB3
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![BU of 1sb3 by Molmil](/molmil-images/mine/1sb3) | Structure of 4-hydroxybenzoyl-CoA reductase from Thauera aromatica | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxybenzoyl-CoA reductase alpha subunit, ... | Authors: | Unciuleac, M, Warkentin, E, Page, C.C, Boll, M, Ermler, U. | Deposit date: | 2004-02-10 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a Xanthine Oxidase-Related 4-Hydroxybenzoyl-CoA Reductase with an Additional [4Fe-4S] Cluster and an Inverted Electron Flow. Structure, 12, 2004
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1I7B
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![BU of 1i7b by Molmil](/molmil-images/mine/1i7b) | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND S-ADENOSYLMETHIONINE METHYL ESTER | Descriptor: | 1,4-DIAMINOBUTANE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, S-ADENOSYLMETHIONINE DECARBOXYLASE BETA CHAIN, ... | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | Deposit date: | 2001-03-08 | Release date: | 2001-08-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry, 40, 2001
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7AAX
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![BU of 7aax by Molmil](/molmil-images/mine/7aax) | Crystal structure of MerTK kinase domain in complex with LDC1267 | Descriptor: | CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide | Authors: | Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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7AB0
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![BU of 7ab0 by Molmil](/molmil-images/mine/7ab0) | Apo crystal structure of the MerTK kinase domain | Descriptor: | CHLORIDE ION, Tyrosine-protein kinase Mer | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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2MHH
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![BU of 2mhh by Molmil](/molmil-images/mine/2mhh) | Solution structure of a EF-hand domain from sea urchin polycystin-2 | Descriptor: | Polycystic kidney disease protein 2 | Authors: | Kuo, I.Y, Keeler, C, Corbin, R, Celic, A, Petri, E.T, Hodsdon, M.E, Ehrlich, B.E. | Deposit date: | 2013-11-22 | Release date: | 2014-10-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The number and location of EF hand motifs dictates the calcium dependence of polycystin-2 function. Faseb J., 28, 2014
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8B8I
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![BU of 8b8i by Molmil](/molmil-images/mine/8b8i) | |
4OO1
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![BU of 4oo1 by Molmil](/molmil-images/mine/4oo1) | |