6IVS
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7VLN
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![BU of 7vln by Molmil](/molmil-images/mine/7vln) | NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound | Descriptor: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2 | Authors: | Cao, D.Y, Li, Y.L, Li, J, Xiong, B. | Deposit date: | 2021-10-05 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors. J.Med.Chem., 65, 2022
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1TOM
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![BU of 1tom by Molmil](/molmil-images/mine/1tom) | ALPHA-THROMBIN COMPLEXED WITH HIRUGEN | Descriptor: | ALPHA-THROMBIN, HIRUGEN, METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | Authors: | Chen, Z. | Deposit date: | 1996-12-06 | Release date: | 1997-03-12 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, evaluation, and crystallographic analysis of L-371,912: A potent and selective active-site thrombin inhibitor. Bioorg.Med.Chem.Lett., 7, 1997
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4ER3
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![BU of 4er3 by Molmil](/molmil-images/mine/4er3) | Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777 | Descriptor: | 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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8JC5
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8JCA
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7XCZ
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7XDK
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![BU of 7xdk by Molmil](/molmil-images/mine/7xdk) | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ... | Authors: | Liu, Z, Lui, S, Gao, Y. | Deposit date: | 2022-03-27 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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7XDA
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7XDB
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![BU of 7xdb by Molmil](/molmil-images/mine/7xdb) | Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7208 fab, ... | Authors: | Liu, Z, Liu, S, Gao, Y.Z. | Deposit date: | 2022-03-26 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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7XDL
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![BU of 7xdl by Molmil](/molmil-images/mine/7xdl) | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7125 fab, ... | Authors: | Liu, Z, Liu, S, Yuanzhu, G. | Deposit date: | 2022-03-27 | Release date: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.258 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HTX
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![BU of 8htx by Molmil](/molmil-images/mine/8htx) | Crystal structure of BANP in complex with methylated DNA | Descriptor: | DNA (5'-D(*CP*TP*CP*TP*(5CM)P*GP*CP*GP*AP*GP*AP*G)-3'), Protein BANP | Authors: | Zhang, J, Min, J, Liu, K. | Deposit date: | 2022-12-21 | Release date: | 2023-05-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP. J.Biol.Chem., 299, 2023
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8HN9
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![BU of 8hn9 by Molmil](/molmil-images/mine/8hn9) | Human SIRT3 Recognizing CCNE2K348la peptide | Descriptor: | CCNE2 peptide, IMIDAZOLE, NAD-dependent protein deacetylase sirtuin-3, ... | Authors: | Wang, Y, Ding, W. | Deposit date: | 2022-12-07 | Release date: | 2023-05-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | SIRT3-dependent delactylation of cyclin E2 prevents hepatocellular carcinoma growth. Embo Rep., 24, 2023
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2NTS
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![BU of 2nts by Molmil](/molmil-images/mine/2nts) | Crystal Structure of SEK-hVb5.1 | Descriptor: | Staphylococcal enterotoxin K, TRBC1 protein | Authors: | Gunther, S, Varma, A.K, Moza, B, Sundberg, E.J. | Deposit date: | 2006-11-08 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A novel loop domain in superantigens extends their T cell receptor recognition site J.Mol.Biol., 371, 2007
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4EQZ
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![BU of 4eqz by Molmil](/molmil-images/mine/4eqz) | Crystal structure of human DOT1L in complex with inhibitor FED2 | Descriptor: | 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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2NTT
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![BU of 2ntt by Molmil](/molmil-images/mine/2ntt) | Crystal Structure of SEK | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Staphylococcal enterotoxin K | Authors: | Gunther, S, Varma, A.K, Moza, B, Sundberg, E.J. | Deposit date: | 2006-11-08 | Release date: | 2007-06-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.561 Å) | Cite: | A novel loop domain in superantigens extends their T cell receptor recognition site J.Mol.Biol., 371, 2007
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8SL4
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![BU of 8sl4 by Molmil](/molmil-images/mine/8sl4) | Dimeric form of human adenylyl cyclase 5 | Descriptor: | Adenylate cyclase type 5 | Authors: | Yen, Y.C, Tesmer, J.J.G. | Deposit date: | 2023-04-20 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Structure of adenylyl cyclase 5 in complex with G beta gamma offers insights into ADCY5-related dyskinesia. Nat.Struct.Mol.Biol., 2024
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8SL3
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![BU of 8sl3 by Molmil](/molmil-images/mine/8sl3) | Human adenylyl Cyclase 5 in complex with Gbg | Descriptor: | Adenylate cyclase type 5, GERAN-8-YL GERAN, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yen, Y.C, Tesmer, J.J.G. | Deposit date: | 2023-04-20 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Structure of adenylyl cyclase 5 in complex with G beta gamma offers insights into ADCY5-related dyskinesia. Nat.Struct.Mol.Biol., 2024
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4ER0
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![BU of 4er0 by Molmil](/molmil-images/mine/4er0) | Crystal Structure of human DOT1L in complex with inhibitor FED1 | Descriptor: | 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4ER7
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![BU of 4er7 by Molmil](/molmil-images/mine/4er7) | Crystal Structure of human DOT1L in complex with inhibitor SGC0947 | Descriptor: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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8SVP
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![BU of 8svp by Molmil](/molmil-images/mine/8svp) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-278 | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVU
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![BU of 8svu by Molmil](/molmil-images/mine/8svu) | Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form | Descriptor: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVR
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![BU of 8svr by Molmil](/molmil-images/mine/8svr) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-326 | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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