1ZPB
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![BU of 1zpb by Molmil](/molmil-images/mine/1zpb) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide | Descriptor: | 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE, Coagulation factor XI, SULFATE ION | Authors: | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-05-16 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine Bioorg.Med.Chem.Lett., 16, 2006
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1ZPC
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![BU of 1zpc by Molmil](/molmil-images/mine/1zpc) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide | Descriptor: | 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE, Coagulation factor XI, SULFATE ION | Authors: | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-05-16 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine Bioorg.Med.Chem.Lett., 16, 2006
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8JJ9
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![BU of 8jj9 by Molmil](/molmil-images/mine/8jj9) | |
3VCB
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![BU of 3vcb by Molmil](/molmil-images/mine/3vcb) | C425S mutant of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59 | Descriptor: | RNA-directed RNA polymerase | Authors: | Xu, X, Lou, Z, Ma, Y, Chen, X, Yang, Z, Tong, X, Zhao, Q, Xu, Y, Deng, H, Bartlam, M, Rao, Z. | Deposit date: | 2012-01-03 | Release date: | 2012-01-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59. Plos One, 4, 2009
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7DH7
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![BU of 7dh7 by Molmil](/molmil-images/mine/7dh7) | Crystal structure of apo XcZur | Descriptor: | PHOSPHATE ION, Transcriptional regulator fur family, ZINC ION | Authors: | Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H. | Deposit date: | 2020-11-13 | Release date: | 2021-06-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator. Nucleic Acids Res., 49, 2021
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7DH8
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![BU of 7dh8 by Molmil](/molmil-images/mine/7dh8) | Crystal structure of holo XcZur | Descriptor: | Transcriptional regulator fur family, ZINC ION | Authors: | Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H. | Deposit date: | 2020-11-13 | Release date: | 2021-06-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator. Nucleic Acids Res., 49, 2021
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1RQP
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![BU of 1rqp by Molmil](/molmil-images/mine/1rqp) | Crystal structure and mechanism of a bacterial fluorinating enzyme | Descriptor: | 5'-fluoro-5'-deoxyadenosine synthase, S-ADENOSYLMETHIONINE | Authors: | Dong, C, Huang, F, Deng, H, Schaffrath, C, Spencer, J.B, O'Hagan, D, Naismith, J.H. | Deposit date: | 2003-12-06 | Release date: | 2004-03-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and mechanism of a bacterial fluorinating enzyme Nature, 427, 2004
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1RQR
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![BU of 1rqr by Molmil](/molmil-images/mine/1rqr) | Crystal structure and mechanism of a bacterial fluorinating enzyme, product complex | Descriptor: | 5'-FLUORO-5'-DEOXYADENOSINE, 5'-fluoro-5'-deoxyadenosine synthase, METHIONINE | Authors: | Dong, C, Huang, F, Deng, H, Schaffrath, C, Spencer, J.B, O'Hagan, D, Naismith, J.H. | Deposit date: | 2003-12-07 | Release date: | 2004-03-02 | Last modified: | 2022-06-15 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Crystal structure and mechanism of a bacterial fluorinating enzyme Nature, 427, 2004
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2WR8
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![BU of 2wr8 by Molmil](/molmil-images/mine/2wr8) | Structure of Pyrococcus horikoshii SAM hydroxide adenosyltransferase in complex with SAH | Descriptor: | PUTATIVE UNCHARACTERIZED PROTEIN PH0463, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | McMahon, S.A, Deng, H, O'Hagan, D, Johnson, K.A, Naismith, J.H. | Deposit date: | 2009-08-31 | Release date: | 2009-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Mechanistic Insights Into Water Activation in Sam Hydroxide Adenosyltransferase (Duf-62). Chembiochem, 10, 2009
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2C4T
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![BU of 2c4t by Molmil](/molmil-images/mine/2c4t) | X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with an inhibitor, an analogue of S- adenosyl methionine | Descriptor: | 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE | Authors: | McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Naismith, J.H. | Deposit date: | 2005-10-22 | Release date: | 2007-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Substrates and Inhibitors of the Fluorinase from Streptomyces Cattleya To be Published
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2C5H
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![BU of 2c5h by Molmil](/molmil-images/mine/2c5h) | X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 2'deoxy-adenosine | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION, ... | Authors: | McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Naismith, J.H, Spencer, J. | Deposit date: | 2005-10-27 | Release date: | 2006-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Substrates and Inhibitors of the Fluorinase from Streptomyces Cattleya To be Published
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2CBX
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![BU of 2cbx by Molmil](/molmil-images/mine/2cbx) | X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with beta-D-erythrofuranosyl- adenosine | Descriptor: | 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, BETA-D-ERYTHROFURANOSYL-ADENOSINE, GLYCEROL | Authors: | McEwan, A.R, Cadicamo, C.D, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Naismith, J.H, Spencer, J. | Deposit date: | 2006-01-09 | Release date: | 2007-03-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates. Org. Biomol. Chem., 4, 2006
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2C5B
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![BU of 2c5b by Molmil](/molmil-images/mine/2c5b) | X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 2'deoxy-5'deoxy-fluoroadenosine. | Descriptor: | 5'-FLUORO-2',5'-DIDEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, METHIONINE | Authors: | McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.A, O'Hagan, D, Naismith, J.H, Spencer, J. | Deposit date: | 2005-10-26 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Substrate Specificity in Enzymatic Fluorination. The Fluorinase from Streptomyces Cattleya Accepts 2'-Deoxyadenosine Substrates. Org.Biomol.Chem., 4, 2006
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2C4U
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![BU of 2c4u by Molmil](/molmil-images/mine/2c4u) | Crystal structure of the apo form of the 5'-Fluoro-5'-deoxyadenosine synthase enzyme from Streptomyces cattleya | Descriptor: | 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, GLYCEROL | Authors: | McEwan, A.R, Deng, H, Robinson, D.A, DeLaurentis, W, McGlinchey, R.P, O'Hagan, D, Naismith, J.H. | Deposit date: | 2005-10-22 | Release date: | 2006-04-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates. Org. Biomol. Chem., 4, 2006
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2CC2
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![BU of 2cc2 by Molmil](/molmil-images/mine/2cc2) | X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 5'deoxyadenosine | Descriptor: | 5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION | Authors: | Mcewan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Spencer, J, Naismith, J.H. | Deposit date: | 2006-01-11 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates. Org. Biomol. Chem., 4, 2006
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8AQF
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![BU of 8aqf by Molmil](/molmil-images/mine/8aqf) | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515 | Descriptor: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase | Authors: | Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M. | Deposit date: | 2022-08-12 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy To Be Published
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1ZOM
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![BU of 1zom by Molmil](/molmil-images/mine/1zom) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with a peptidomimetic Inhibitor | Descriptor: | (S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE, Coagulation factor XI, SULFATE ION | Authors: | Lin, J, Deng, H, Jin, L, Pandey, P, Rynkiewicz, M, Bibbins, F, Cantin, S, Quinn, J, Magee, S, Gorga, J. | Deposit date: | 2005-05-13 | Release date: | 2006-05-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design, synthesis, and biological evaluation of peptidomimetic inhibitors of factor XIa as novel anticoagulants. J.Med.Chem., 49, 2006
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1DRO
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![BU of 1dro by Molmil](/molmil-images/mine/1dro) | NMR STRUCTURE OF THE CYTOSKELETON/SIGNAL TRANSDUCTION PROTEIN | Descriptor: | BETA-SPECTRIN | Authors: | Zhang, P, Talluri, S, Deng, H, Branton, D, Wagner, G. | Deposit date: | 1995-09-29 | Release date: | 1996-04-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the pleckstrin homology domain of Drosophila beta-spectrin. Structure, 3, 1995
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8PE9
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![BU of 8pe9 by Molmil](/molmil-images/mine/8pe9) | Complex between DDR1 DS-like domain and PRTH-101 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Liu, J, Chiang, H, Xiong, W, Laurent, V, Griffiths, S.C, Duelfer, J, Deng, H, Sun, X, Yin, Y.W, Li, W, Audoly, L.P, An, Z, Schuerpf, T, Li, R, Zhang, N. | Deposit date: | 2023-06-13 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.152 Å) | Cite: | A highly selective humanized DDR1 mAb reverses immune exclusion by disrupting collagen fiber alignment in breast cancer. J Immunother Cancer, 11, 2023
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3VC8
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![BU of 3vc8 by Molmil](/molmil-images/mine/3vc8) | Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59 | Descriptor: | RNA-directed RNA polymerase | Authors: | Xu, X, Lou, Z, Ma, Y, Chen, X, Yang, Z, Tong, X, Zhao, Q, Xu, Y, Deng, H, Bartlam, M, Rao, Z. | Deposit date: | 2012-01-03 | Release date: | 2012-01-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59. Plos One, 4, 2009
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3J2C
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![BU of 3j2c by Molmil](/molmil-images/mine/3j2c) | Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM | Descriptor: | 16S rRNA body domain, 16S rRNA head domain | Authors: | Guo, Q, Goto, S, Chen, Y, Muto, A, Himeno, H, Deng, H, Lei, J, Gao, N. | Deposit date: | 2012-09-28 | Release date: | 2013-01-16 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (13.2 Å) | Cite: | Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM and general features of the assembly process Nucleic Acids Res., 41, 2013
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2N5C
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![BU of 2n5c by Molmil](/molmil-images/mine/2n5c) | Solution NMR structure of the lasso peptide chaxapeptin | Descriptor: | chaxapeptin | Authors: | Elsayed, S.S, Trusch, F, Deng, H, Raab, A, Prokes, I, Busarakam, K, Asenjo, J.A, Andrews, B.A, van West, P, Bull, A.T, Goodfellow, M, Yi, Y, Ebel, R, Jaspars, M, Rateb, M.E. | Deposit date: | 2015-07-14 | Release date: | 2015-10-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Chaxapeptin, a Lasso Peptide from Extremotolerant Streptomyces leeuwenhoekii Strain C58 from the Hyperarid Atacama Desert. J.Org.Chem., 80, 2015
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3J2H
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![BU of 3j2h by Molmil](/molmil-images/mine/3j2h) | Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM | Descriptor: | 16S rRNA | Authors: | Guo, Q, Goto, S, Chen, Y, Muto, A, Himeno, H, Deng, H, Lei, J, Gao, N. | Deposit date: | 2012-09-28 | Release date: | 2013-01-16 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (18.799999 Å) | Cite: | Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM and general features of the assembly process. Nucleic Acids Res., 41, 2013
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3J2A
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![BU of 3j2a by Molmil](/molmil-images/mine/3j2a) | Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM | Descriptor: | 16S rRNA | Authors: | Guo, Q, Goto, S, Chen, Y, Muto, A, Himeno, H, Deng, H, Lei, J, Gao, N. | Deposit date: | 2012-09-28 | Release date: | 2013-01-16 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (13.1 Å) | Cite: | Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM and general features of the assembly process Nucleic Acids Res., 41, 2013
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3J2F
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![BU of 3j2f by Molmil](/molmil-images/mine/3j2f) | Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM | Descriptor: | 16S rRNA | Authors: | Guo, Q, Goto, S, Chen, Y, Muto, A, Himeno, H, Deng, H, Lei, J, Gao, N. | Deposit date: | 2012-09-28 | Release date: | 2013-01-16 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (17.6 Å) | Cite: | Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM and general features of the assembly process. Nucleic Acids Res., 41, 2013
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