1JE9
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![BU of 1je9 by Molmil](/molmil-images/mine/1je9) | NMR SOLUTION STRUCTURE OF NT2 | Descriptor: | SHORT NEUROTOXIN II | Authors: | Cheng, Y, Wang, W, Wang, J. | Deposit date: | 2001-06-16 | Release date: | 2001-07-04 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structure-function relationship of three neurotoxins from the venom of Naja kaouthia: a comparison between the NMR-derived structure of NT2 with its homologues, NT1 and NT3 BIOCHIM.BIOPHYS.ACTA, 1594, 2002
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2EFG
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![BU of 2efg by Molmil](/molmil-images/mine/2efg) | TRANSLATIONAL ELONGATION FACTOR G COMPLEXED WITH GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, PROTEIN (ELONGATION FACTOR G DOMAIN 3), PROTEIN (ELONGATION FACTOR G) | Authors: | Czworkowski, J, Wang, J, Steitz, T.A, Moore, P.B. | Deposit date: | 1998-09-23 | Release date: | 1999-09-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of elongation factor G complexed with GDP, at 2.7 A resolution. EMBO J., 13, 1994
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1FWN
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![BU of 1fwn by Molmil](/molmil-images/mine/1fwn) | AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, PHOSPHATE ION, PHOSPHOENOLPYRUVATE | Authors: | Duewel, H.S, Radaev, S, Wang, J, Woodard, R.W, Gatti, D.L. | Deposit date: | 2000-09-23 | Release date: | 2001-04-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Substrate and metal complexes of 3-deoxy-D-manno-octulosonate-8-phosphate synthase from Aquifex aeolicus at 1.9-A resolution. Implications for the condensation mechanism. J.Biol.Chem., 276, 2001
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7C8J
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![BU of 7c8j by Molmil](/molmil-images/mine/7c8j) | Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2 | Descriptor: | Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION | Authors: | Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F. | Deposit date: | 2020-06-01 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Cross-species recognition of SARS-CoV-2 to bat ACE2. Proc.Natl.Acad.Sci.USA, 118, 2021
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7C8K
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![BU of 7c8k by Molmil](/molmil-images/mine/7c8k) | Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F. | Deposit date: | 2020-06-02 | Release date: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cross-species recognition of SARS-CoV-2 to bat ACE2. Proc.Natl.Acad.Sci.USA, 118, 2021
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7V47
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7V48
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![BU of 7v48 by Molmil](/molmil-images/mine/7v48) | |
5MV2
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![BU of 5mv2 by Molmil](/molmil-images/mine/5mv2) | Crystal structure of the E protein of the Japanese encephalitis live attenuated vaccine virus | Descriptor: | E protein | Authors: | Liu, X, Zhao, X, Na, R, Li, L, Warkentin, E, Witt, J, Lu, X, Wei, Y, Peng, G, Li, Y, Wang, J. | Deposit date: | 2017-01-14 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure differences of Japanese encephalitis virus SA14 and SA14-14-2 E proteins elucidate the virulence attenuation mechanism. Protein Cell, 10, 2019
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7V49
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1IH7
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![BU of 1ih7 by Molmil](/molmil-images/mine/1ih7) | High-Resolution Structure of Apo RB69 DNA Polymerase | Descriptor: | DNA POLYMERASE, GUANOSINE, POTASSIUM ION | Authors: | Franklin, M.C, Wang, J, Steitz, T.A. | Deposit date: | 2001-04-18 | Release date: | 2001-06-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure of the Replicating Complex of a Pol alpha Family DNA Polymerase Cell(Cambridge,Mass.), 105, 2001
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3NAE
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![BU of 3nae by Molmil](/molmil-images/mine/3nae) | RB69 DNA Polymerase (Y567A) Ternary Complex with dATP Opposite Guanidinohydantoin | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ... | Authors: | Wang, M, Beckman, J, Blaha, G, Wang, J, Konigsberg, W.H. | Deposit date: | 2010-06-01 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Substitution of Ala for Tyr567 in RB69 DNA Polymerase Allows dAMP and dGMP To Be Inserted opposite Guanidinohydantoin . Biochemistry, 49, 2010
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1X7A
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![BU of 1x7a by Molmil](/molmil-images/mine/1x7a) | Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | Descriptor: | 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ... | Authors: | Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M. | Deposit date: | 2004-08-13 | Release date: | 2005-08-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa Bioorg.Med.Chem.Lett., 14, 2004
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5GXO
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![BU of 5gxo by Molmil](/molmil-images/mine/5gxo) | Discovery of a compound that activates SIRT3 to deacetylate Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Lu, J, Li, J, Wu, M, Wang, J, Xia, Q. | Deposit date: | 2016-09-19 | Release date: | 2017-08-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A small molecule activator of SIRT3 promotes deacetylation and activation of manganese superoxide dismutase. Free Radic. Biol. Med., 112, 2017
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3LZI
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![BU of 3lzi by Molmil](/molmil-images/mine/3lzi) | RB69 DNA Polymerase (Y567A) ternary complex with dATP Opposite 7,8-dihydro-8-oxoguanine | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ... | Authors: | Wang, M, Beckman, J, Blaha, G, Wang, J, Konigsberg, W.H. | Deposit date: | 2010-03-01 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Substitution of Ala for Tyr567 in RB69 DNA polymerase allows dAMP to be inserted opposite 7,8-dihydro-8-oxoguanine . Biochemistry, 49, 2010
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2ERF
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2ES3
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6DCG
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![BU of 6dcg by Molmil](/molmil-images/mine/6dcg) | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | Deposit date: | 2018-05-06 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
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7D0F
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![BU of 7d0f by Molmil](/molmil-images/mine/7d0f) | cryo-EM structure of a pre-catalytic group II intron RNP | Descriptor: | Group II intron-encoded protein LtrA, RNA (738-MER) | Authors: | Liu, N, Dong, X.L, Hu, C.X, Zeng, J.W, Wang, J.W, Wang, J, Wang, H.W, Belfort, M. | Deposit date: | 2020-09-10 | Release date: | 2020-09-30 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Exon and protein positioning in a pre-catalytic group II intron RNP primed for splicing. Nucleic Acids Res., 48, 2020
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7D0G
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![BU of 7d0g by Molmil](/molmil-images/mine/7d0g) | Cryo-EM structure of a pre-catalytic group II intron | Descriptor: | Group II intron-encoded protein LtrA, RNA (714-MER) | Authors: | Liu, N, Dong, X.L, Hu, C.X, Zeng, J.W, Wang, J.W, Wang, J, Wang, H.W, Belfort, M. | Deposit date: | 2020-09-10 | Release date: | 2020-09-30 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Exon and protein positioning in a pre-catalytic group II intron RNP primed for splicing. Nucleic Acids Res., 48, 2020
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8D4L
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![BU of 8d4l by Molmil](/molmil-images/mine/8d4l) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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1FFY
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![BU of 1ffy by Molmil](/molmil-images/mine/1ffy) | INSIGHTS INTO EDITING FROM AN ILE-TRNA SYNTHETASE STRUCTURE WITH TRNA(ILE) AND MUPIROCIN | Descriptor: | ISOLEUCYL-TRNA, ISOLEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, ... | Authors: | Silvian, L.F, Wang, J, Steitz, T.A. | Deposit date: | 2000-07-26 | Release date: | 2000-08-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin. Science, 285, 1999
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2VRL
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![BU of 2vrl by Molmil](/molmil-images/mine/2vrl) | Structure of human MAO B in complex with benzylhydrazine | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, TOLUENE | Authors: | Binda, C, Wang, J, Li, M, Hubalek, F, Mattevi, A, Edmondson, D.E. | Deposit date: | 2008-04-09 | Release date: | 2008-04-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Mechanistic Studies of Arylalkylhydrazine Inhibition of Human Monoamine Oxidases a and B Biochemistry, 47, 2008
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7UK1
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2VRM
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![BU of 2vrm by Molmil](/molmil-images/mine/2vrm) | Structure of human MAO B in complex with phenyethylhydrazine | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, PHENYLETHANE | Authors: | Binda, C, Wang, J, Li, M, Hubalek, F, Mattevi, A, Edmondson, D.E. | Deposit date: | 2008-04-09 | Release date: | 2008-04-22 | Last modified: | 2014-01-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Mechanistic Studies of Arylalkylhydrazine Inhibition of Human Monoamine Oxidases a and B Biochemistry, 47, 2008
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8D4K
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![BU of 8d4k by Molmil](/molmil-images/mine/8d4k) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant in Complex with Inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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