6H2L
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4OR9
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![BU of 4or9 by Molmil](/molmil-images/mine/4or9) | Crystal structure of human calcineurin | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... | Authors: | Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. | Deposit date: | 2014-02-11 | Release date: | 2015-05-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Cooperative autoinhibition and multi-level activation mechanisms of calcineurin To be Published
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3CD4
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4Z62
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![BU of 4z62 by Molmil](/molmil-images/mine/4z62) | The plant peptide hormone free receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine receptor 1 | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
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4Z5W
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![BU of 4z5w by Molmil](/molmil-images/mine/4z5w) | The plant peptide hormone receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ... | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
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4Z0B
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![BU of 4z0b by Molmil](/molmil-images/mine/4z0b) | Crystal Structure of the Fab Fragment of Anti-ofloxacin Antibody and Exploration Its Receptor Binding Site | Descriptor: | PHOSPHATE ION, antibody heavy chain, antibody light chain | Authors: | He, K, Du, X, Sheng, W, Zhou, X, Wang, J, Wang, S. | Deposit date: | 2015-03-26 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of the Fab Fragment of an Anti-ofloxacin Antibody and Exploration of Its Specific Binding. J.Agric.Food Chem., 64, 2016
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4YNZ
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![BU of 4ynz by Molmil](/molmil-images/mine/4ynz) | Structure of the N-terminal domain of SAD | Descriptor: | Serine/threonine-protein kinase BRSK2 | Authors: | Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W. | Deposit date: | 2015-03-11 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight into the mechanism of synergistic autoinhibition of SAD kinases Nat Commun, 6, 2015
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5NOM
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![BU of 5nom by Molmil](/molmil-images/mine/5nom) | The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with guanidine | Descriptor: | GUANIDINE, RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), SODIUM ION, ... | Authors: | Huang, L, Wang, J, Lilley, D.M.J. | Deposit date: | 2017-04-12 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The Structure of the Guanidine-II Riboswitch. Cell Chem Biol, 24, 2017
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5NDI
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5NEP
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![BU of 5nep by Molmil](/molmil-images/mine/5nep) | The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with methylguanidine | Descriptor: | 1-METHYLGUANIDINE, RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), SODIUM ION, ... | Authors: | Huang, L, Wang, J, Lilley, D.M.J. | Deposit date: | 2017-03-11 | Release date: | 2017-05-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure of the Guanidine-II Riboswitch. Cell Chem Biol, 24, 2017
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1MHW
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![BU of 1mhw by Molmil](/molmil-images/mine/1mhw) | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides | Descriptor: | 4-biphenylacetyl-Cys-(D)Arg-Tyr-N-(2-phenylethyl) amide, Cathepsin L | Authors: | Chowdhury, S, Sivaraman, J, Wang, J, Devanathan, G, Lachance, P, Qi, H, Menard, R, Lefebvre, J, Konishi, Y, Cygler, M, Sulea, T, Purisima, E.O. | Deposit date: | 2002-08-21 | Release date: | 2002-12-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides J.Med.Chem., 45, 2002
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1M4B
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![BU of 1m4b by Molmil](/molmil-images/mine/1m4b) | Crystal Structure of Human Interleukin-2 K43C Covalently Modified at C43 with 2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide | Descriptor: | 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE, interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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7RZC
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![BU of 7rzc by Molmil](/molmil-images/mine/7rzc) | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor | Descriptor: | (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-08-27 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor To be Published
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7SDR
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![BU of 7sdr by Molmil](/molmil-images/mine/7sdr) | Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-09-29 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor To be Published
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1M48
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![BU of 1m48 by Molmil](/molmil-images/mine/1m48) | Crystal Structure of Human IL-2 Complexed with (R)-N-[2-[1-(Aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-L-phenylalanine methyl ester | Descriptor: | 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER, interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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1M47
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![BU of 1m47 by Molmil](/molmil-images/mine/1m47) | Crystal Structure of Human Interleukin-2 | Descriptor: | SULFATE ION, interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, Wells, J.A, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Binding of small molecules to an adaptive protein-protein interface. Proc.Natl.Acad.Sci.USA, 100, 2003
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1M4C
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![BU of 1m4c by Molmil](/molmil-images/mine/1m4c) | Crystal Structure of Human Interleukin-2 | Descriptor: | interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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1M4A
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![BU of 1m4a by Molmil](/molmil-images/mine/1m4a) | Crystal Structure of Human Interleukin-2 Y31C Covalently Modified at C31 with (1H-Indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid | Descriptor: | (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID, GLYCEROL, interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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1M49
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![BU of 1m49 by Molmil](/molmil-images/mine/1m49) | Crystal Structure of Human Interleukin-2 Complexed with SP-1985 | Descriptor: | 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER, interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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4FG9
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![BU of 4fg9 by Molmil](/molmil-images/mine/4fg9) | Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-320 in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1 | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | Deposit date: | 2012-06-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI. Plos One, 7, 2012
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4FG8
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![BU of 4fg8 by Molmil](/molmil-images/mine/4fg8) | Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-315 in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1 | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | Deposit date: | 2012-06-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI. Plos One, 7, 2012
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4FG7
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![BU of 4fg7 by Molmil](/molmil-images/mine/4fg7) | Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-293 in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1 | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | Deposit date: | 2012-06-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI. Plos One, 7, 2012
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5VFK
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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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7MG0
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![BU of 7mg0 by Molmil](/molmil-images/mine/7mg0) | |