2BVR
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![BU of 2bvr by Molmil](/molmil-images/mine/2bvr) | Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | Descriptor: | 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE, ALPHA THROMBIN, HIRUDIN VARIANT-2 | Authors: | Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. | Deposit date: | 2005-07-04 | Release date: | 2006-10-25 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening Lett.Drug Des.Discovery, 2, 2005
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2BVT
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![BU of 2bvt by Molmil](/molmil-images/mine/2bvt) | The structure of a modular endo-beta-1,4-mannanase from Cellulomonas fimi explains the product specificity of glycoside hydrolase family 26 mannanases. | Descriptor: | BETA-1,4-MANNANASE, CACODYLATE ION, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Le Nours, J, Anderson, L, Stoll, D, Stalbrand, H, Lo Leggio, L. | Deposit date: | 2005-07-04 | Release date: | 2005-09-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Structure and Characterization of a Modular Endo-Beta-1,4-Mannanase from Cellulomonas Fimi Biochemistry, 44, 2005
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2C0N
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![BU of 2c0n by Molmil](/molmil-images/mine/2c0n) | Crystal Structure of A197 from STIV | Descriptor: | 1,4-DIETHYLENE DIOXIDE, A197, NICKEL (II) ION, ... | Authors: | Larson, E.T, Reiter, D, Young, M, Lawrence, C.M. | Deposit date: | 2005-09-06 | Release date: | 2005-09-29 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of A197 from Sulfolobus Turreted Icosahedral Virus: A Crenarchaeal Viral Glycosyltransferase Exhibiting the Gt-A Fold. J.Virol., 80, 2006
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6LAG
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![BU of 6lag by Molmil](/molmil-images/mine/6lag) | Solution structure of SPA-2 SHD | Descriptor: | Spa2-like protein | Authors: | Fan, J.S, Wong, J.Y, Zheng, P, Yang, D, Jedd, G. | Deposit date: | 2019-11-12 | Release date: | 2020-04-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Spitzenkorper assembly mechanisms reveal conserved features of fungal and metazoan polarity scaffolds. Nat Commun, 11, 2020
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6L7K
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![BU of 6l7k by Molmil](/molmil-images/mine/6l7k) | solution structure of hIFABP V60C/Y70C variant. | Descriptor: | Fatty acid-binding protein, intestinal | Authors: | Fan, J, Yang, D. | Deposit date: | 2019-11-01 | Release date: | 2020-11-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Ligand Entry into Fatty Acid Binding Protein via Local Unfolding Instead of Gap Widening. Biophys.J., 118, 2020
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2BHR
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![BU of 2bhr by Molmil](/molmil-images/mine/2bhr) | Dengue virus RNA helicase | Descriptor: | RNA HELICASE, SULFATE ION | Authors: | Xu, T, Sampath, A, Chao, A, Wen, D, Nanao, M, Chene, P, Vasudevan, S.G, Lescar, J. | Deposit date: | 2005-01-17 | Release date: | 2005-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the Dengue Virus Helicase/Nucleoside Triphosphatase Catalytic Domain at a Resolution of 2.4 A. J.Virol., 79, 2005
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2C58
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![BU of 2c58 by Molmil](/molmil-images/mine/2c58) | Torpedo californica acetylcholinesterase in complex with 20mM acetylthiocholine | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | Deposit date: | 2005-10-26 | Release date: | 2006-06-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase. Embo J., 25, 2006
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2DCB
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![BU of 2dcb by Molmil](/molmil-images/mine/2dcb) | X-ray crystal structure analysis of bovine spleen cathepsin B-CA076 complex | Descriptor: | CATHEPSIN B, GLYCEROL, N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE, ... | Authors: | Watanabe, D. | Deposit date: | 2006-01-01 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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5L0A
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![BU of 5l0a by Molmil](/molmil-images/mine/5l0a) | Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-1,6-bisphosphate | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2016-07-27 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Structural studies of human muscle FBPase To Be Published
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2DCA
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![BU of 2dca by Molmil](/molmil-images/mine/2dca) | X-ray crystal structure analysis of bovine spleen cathepsin B-CA075 complex | Descriptor: | CATHEPSIN B, GLYCEROL, N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE, ... | Authors: | Watanabe, D. | Deposit date: | 2006-01-01 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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2DC9
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![BU of 2dc9 by Molmil](/molmil-images/mine/2dc9) | X-ray crystal structure analysis of bovine spleen cathepsin B-CA074Me complex | Descriptor: | CATHEPSIN B, GLYCEROL, METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE, ... | Authors: | Watanabe, D. | Deposit date: | 2005-12-31 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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2DC8
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![BU of 2dc8 by Molmil](/molmil-images/mine/2dc8) | X-ray crystal structure analysis of bovine spleen cathepsin B-CA059 complex | Descriptor: | CATHEPSIN B, GLYCEROL, N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE, ... | Authors: | Watanabe, D. | Deposit date: | 2005-12-31 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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5L3X
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![BU of 5l3x by Molmil](/molmil-images/mine/5l3x) | |
6LP2
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![BU of 6lp2 by Molmil](/molmil-images/mine/6lp2) | Structure of Lpg2148/UBE2N-Ub complex | Descriptor: | Ubiquitin, Ubiquitin-conjugating enzyme E2 N, Uncharacterized protein lpg2148 | Authors: | Feng, Y, Wang, Y, Huang, Y, Li, D. | Deposit date: | 2020-01-08 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.479 Å) | Cite: | Structure of Lpg2148/UBE2N-Ub complex To Be Published
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2DUJ
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![BU of 2duj by Molmil](/molmil-images/mine/2duj) | Crystal structure of the complex formed between proteinase K and a synthetic peptide Leu-Leu-Phe-Asn-Asp at 1.67 A resolution | Descriptor: | CALCIUM ION, LLFND, NITRATE ION, ... | Authors: | Singh, A.K, Singh, N, Somvanshi, R.K, Gupta, D, Sharma, S, Singh, T.P. | Deposit date: | 2006-07-23 | Release date: | 2006-08-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Crystal structure of the complex of proteinase K with a specific lactoferrin peptide Val-Leu-Leu-His at 1.93 A resolution To be Published
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6M2W
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![BU of 6m2w by Molmil](/molmil-images/mine/6m2w) | Structure of RyR1 (Ca2+/Caffeine/ATP/CaM1234/CHL) | Descriptor: | 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ... | Authors: | Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z. | Deposit date: | 2020-03-01 | Release date: | 2020-09-02 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for diamide modulation of ryanodine receptor. Nat.Chem.Biol., 16, 2020
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6LS4
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![BU of 6ls4 by Molmil](/molmil-images/mine/6ls4) | A novel anti-tumor agent S-40 in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | Authors: | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | Deposit date: | 2020-01-17 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity. Cancer Lett., 495, 2020
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6LT6
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![BU of 6lt6 by Molmil](/molmil-images/mine/6lt6) | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with lysophosphatidylcholine | Descriptor: | (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Shima, Y, Morita, D. | Deposit date: | 2020-01-21 | Release date: | 2020-04-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of lysophospholipid-bound MHC class I molecules. J.Biol.Chem., 295, 2020
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1IF1
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![BU of 1if1 by Molmil](/molmil-images/mine/1if1) | INTERFERON REGULATORY FACTOR 1 (IRF-1) COMPLEX WITH DNA | Descriptor: | DNA (26-MER), PROTEIN (INTERFERON REGULATORY FACTOR 1) | Authors: | Escalante, C.R, Yie, J, Thanos, D, Aggarwal, A. | Deposit date: | 1997-09-12 | Release date: | 1998-02-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of IRF-1 with bound DNA reveals determinants of interferon regulation. Nature, 391, 1998
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5NLX
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![BU of 5nlx by Molmil](/molmil-images/mine/5nlx) | A2A Adenosine receptor room-temperature structure determined by serial millisecond crystallography | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J. | Deposit date: | 2017-04-05 | Release date: | 2017-09-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
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3M3X
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![BU of 3m3x by Molmil](/molmil-images/mine/3m3x) | Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide | Descriptor: | 4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Grazulis, S, Manakova, E, Golovenko, D. | Deposit date: | 2010-03-10 | Release date: | 2010-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
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3M4J
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![BU of 3m4j by Molmil](/molmil-images/mine/3m4j) | Crystal structure of N-acetyl-L-ornithine transcarbamylase complexed with PALAO | Descriptor: | N-acetylornithine carbamoyltransferase, N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine, SULFATE ION | Authors: | Li, Y, Yu, X, Allewell, N.M, Tuchman, M, Shi, D. | Deposit date: | 2010-03-11 | Release date: | 2010-07-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Reversible Post-Translational Carboxylation Modulates the Enzymatic Activity of N-Acetyl-l-ornithine Transcarbamylase. Biochemistry, 49, 2010
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3M98
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![BU of 3m98 by Molmil](/molmil-images/mine/3m98) | |
5LO0
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![BU of 5lo0 by Molmil](/molmil-images/mine/5lo0) | HSP90 WITH indazole derivative | Descriptor: | Heat shock protein HSP 90-alpha, [2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone | Authors: | Graedler, U, Amaral, M, Schuetz, D. | Deposit date: | 2016-08-08 | Release date: | 2017-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J. Med. Chem., 61, 2018
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6LNU
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![BU of 6lnu by Molmil](/molmil-images/mine/6lnu) | Cryo-EM structure of immature Zika virus | Descriptor: | Genome polyprotein | Authors: | Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M. | Deposit date: | 2020-01-02 | Release date: | 2020-02-26 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Capsid protein structure in Zika virus reveals the flavivirus assembly process. Nat Commun, 11, 2020
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