4FBM
| LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families | Descriptor: | BROMIDE ION, LipS lipolytic enzyme | Authors: | Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovavic, F, Streit, W.R, Structural Proteomics in Europe (SPINE) | Deposit date: | 2012-05-23 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases. Plos One, 7, 2012
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4FBL
| LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families | Descriptor: | CHLORIDE ION, LipS lipolytic enzyme, SPERMIDINE | Authors: | Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovacic, F, Streit, W.R, Structural Proteomics in Europe (SPINE) | Deposit date: | 2012-05-23 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases. Plos One, 7, 2012
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1BZV
| [D-ALAB26]-DES(B27-B30)-INSULIN-B26-AMIDE A SUPERPOTENT SINGLE-REPLACEMENT INSULIN ANALOGUE, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | INSULIN | Authors: | Kurapkat, G, Siedentopf, M, Gattner, H.G, Hagelstein, M, Brandenburg, D, Grotzinger, J, Wollmer, A. | Deposit date: | 1998-11-04 | Release date: | 1999-05-18 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | The solution structure of a superpotent B-chain-shortened single-replacement insulin analogue. Protein Sci., 8, 1999
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1USX
| Crystal structure of the Newcastle disease virus hemagglutinin-neuraminidase complexed with thiosialoside | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, HEMAGGLUTININ-NEURAMINIDASE GLYCOPROTEIN, N-acetyl-alpha-neuraminic acid-(2-6)-methyl 6-thio-beta-D-galactopyranoside | Authors: | Zaitsev, V, Itzstein, M, Groves, D, Kiefel, M, Takimoto, T, Portner, A, Taylor, G. | Deposit date: | 2003-12-01 | Release date: | 2004-03-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Second Sialic Acid Binding Site in Newcastle Disease Virus Hemagglutinin-Neuraminidase: Implications for Fusion J.Virol., 78, 2004
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1USR
| Newcastle disease virus hemagglutinin-neuraminidase: Evidence for a second sialic acid binding site and implications for fusion | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, ... | Authors: | Zaitsev, V, Von Itzstein, M, Groves, D, Kiefel, M, Takimoto, T, Portner, A, Taylor, G. | Deposit date: | 2003-11-28 | Release date: | 2004-01-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Second Sialic Acid Binding Site in Newcastle Disease Virus Hemagglutinin-Neuraminidase: Implications for Fusion J.Virol., 78, 2004
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6TXR
| Structural insights into cubane-modified aptamer recognition of a malaria biomarker | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Cheung, Y, Roethlisberger, P, Mechaly, A, Weber, P, Wong, A, Lo, Y, Haouz, A, Savage, P, Hollenstein, M, Tanner, J. | Deposit date: | 2020-01-14 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evolution of abiotic cubane chemistries in a nucleic acid aptamer allows selective recognition of a malaria biomarker. Proc.Natl.Acad.Sci.USA, 117, 2020
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2YNG
| HIV-1 Reverse Transcriptase in complex with inhibitor GSK560 | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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2YNI
| HIV-1 Reverse Transcriptase in complex with inhibitor GSK952 | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-15 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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2YNF
| HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560 | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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2YNH
| HIV-1 Reverse Transcriptase in complex with inhibitor GSK500 | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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3L3S
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1KE5
| CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide | Descriptor: | Cell division protein kinase 2, N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | Deposit date: | 2001-11-14 | Release date: | 2002-05-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. J.Med.Chem., 44, 2001
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1KE7
| CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | Descriptor: | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE, Cell division protein kinase 2 | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.H, Shewchuk, L.M, Kuyper, L.F. | Deposit date: | 2001-11-14 | Release date: | 2002-05-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. J.Med.Chem., 44, 2001
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1LJZ
| NMR structure of an AChR-peptide (Torpedo Californica, alpha-subunit residues 182-202) in complex with alpha-Bungarotoxin | Descriptor: | Acetylcholine receptor protein, alpha-Bungarotoxin | Authors: | Samson, A.O, Scherf, T, Eisenstein, M, Chill, J.H, Anglister, J. | Deposit date: | 2002-04-23 | Release date: | 2002-07-17 | Last modified: | 2013-07-24 | Method: | SOLUTION NMR | Cite: | The mechanism for acetylcholine receptor inhibition by alpha-neurotoxins and species-specific resistance to alpha-bungarotoxin revealed by NMR. Neuron, 35, 2002
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1L4W
| NMR structure of an AChR-peptide (Torpedo Californica, alpha-subunit residues 182-202) in complex with alpha-Bungarotoxin | Descriptor: | Acetylcholine receptor protein, alpha-Bungarotoxin | Authors: | Samson, A.O, Scherf, T, Rodriguez, E, Eisenstein, M, Anglister, J. | Deposit date: | 2002-03-06 | Release date: | 2002-07-17 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | The mechanism for acetylcholine receptor inhibition by alpha-neurotoxins and species-specific resistance to alpha-bungarotoxin revealed by NMR. Neuron, 35, 2002
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1KE9
| CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[4-({[AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE | Descriptor: | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE, Cell division protein kinase 2 | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | Deposit date: | 2001-11-14 | Release date: | 2002-05-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. J.Med.Chem., 44, 2001
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1KE8
| CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | Descriptor: | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | Deposit date: | 2001-11-14 | Release date: | 2002-05-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. J.Med.Chem., 44, 2001
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1KE6
| CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | Descriptor: | Cell division protein kinase 2, N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.H, Shewchuk, L.M, Kuyper, L.F. | Deposit date: | 2001-11-14 | Release date: | 2002-05-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. J.Med.Chem., 44, 2001
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1EIJ
| NMR ENSEMBLE OF METHANOBACTERIUM THERMOAUTOTROPHICUM PROTEIN 1615 | Descriptor: | HYPOTHETICAL PROTEIN MTH1615 | Authors: | Christendat, D, Booth, V, Gernstein, M, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2000-02-25 | Release date: | 2000-11-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural proteomics of an archaeon. Nat.Struct.Biol., 7, 2000
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4GB1
| Synthesis and Evaluation of Novel 3-C-alkylated-Neu5Ac2en Derivatives as Probes of Influenza Virus Sialidase 150-loop flexibility | Descriptor: | 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid, CALCIUM ION, Neuraminidase | Authors: | Kerry, P.S, Rudrawar, S, Rameix-Welti, M.-A, Maggioni, A, Dyason, J.C, Rose, F.J, van der Werf, S, Thomson, R.J, Naffakh, N, Russell, R.J.M, von Itzstein, M. | Deposit date: | 2012-07-26 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Synthesis and evaluation of novel 3-C-alkylated-Neu5Ac2en derivatives as probes of influenza virus sialidase 150-loop flexibility. Org.Biomol.Chem., 10, 2012
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1VT7
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1F8B
| Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Smith, B.J, Colman, P.M, Von Itzstein, M, Danylec, B, Varghese, J.N. | Deposit date: | 2000-06-30 | Release date: | 2001-04-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Analysis of inhibitor binding in influenza virus neuraminidase. Protein Sci., 10, 2001
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1F8C
| Native Influenza Neuraminidase in Complex with 4-amino-2-deoxy-2,3-dehydro-N-neuraminic Acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, ... | Authors: | Smith, B.J, Colman, P.M, Von Itzstein, M, Danylec, B, Varghese, J.N. | Deposit date: | 2000-06-30 | Release date: | 2001-04-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Analysis of inhibitor binding in influenza virus neuraminidase. Protein Sci., 10, 2001
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1F8D
| Native Influenza Neuraminidase in Complex with 9-amino-2-deoxy-2,3-dehydro-N-neuraminic Acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, ... | Authors: | Smith, B.J, Colman, P.M, Von Itzstein, M, Danylec, B, Varghese, J.N. | Deposit date: | 2000-06-30 | Release date: | 2001-04-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Analysis of inhibitor binding in influenza virus neuraminidase. Protein Sci., 10, 2001
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1F8E
| Native Influenza Neuraminidase in Complex with 4,9-diamino-2-deoxy-2,3-dehydro-N-acetyl-neuraminic Acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, ... | Authors: | Smith, B.J, Colman, P.M, Von Itzstein, M, Danylec, B, Varghese, J.N. | Deposit date: | 2000-06-30 | Release date: | 2001-04-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Analysis of inhibitor binding in influenza virus neuraminidase. Protein Sci., 10, 2001
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