6WL3
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![BU of 6wl3 by Molmil](/molmil-images/mine/6wl3) | preTCRbeta-pMHC complex crystal structure | Descriptor: | ARG-GLY-TYR-LEU-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | Deposit date: | 2020-04-18 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection. Science, 371, 2021
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6WL2
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![BU of 6wl2 by Molmil](/molmil-images/mine/6wl2) | preTCRbeta-pMHC complex crystal structure | Descriptor: | ARG-GLY-TYR-VAL-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | Deposit date: | 2020-04-18 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection. Science, 371, 2021
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6WL4
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![BU of 6wl4 by Molmil](/molmil-images/mine/6wl4) | preTCRbeta-pMHC complex crystal structure | Descriptor: | ARG-GLY-TYR-VAL-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | Deposit date: | 2020-04-18 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection. Science, 371, 2021
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6L4R
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![BU of 6l4r by Molmil](/molmil-images/mine/6l4r) | Crystal structure of Enterovirus D68 RdRp | Descriptor: | RdRp | Authors: | Wang, M.L, Li, L, Zhang, Y, Chen, Y.P, Su, D. | Deposit date: | 2019-10-21 | Release date: | 2020-06-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Structure of the enterovirus D68 RNA-dependent RNA polymerase in complex with NADPH implicates an inhibitor binding site in the RNA template tunnel. J.Struct.Biol., 211, 2020
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7S5H
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![BU of 7s5h by Molmil](/molmil-images/mine/7s5h) | PCSK9(deltaCRD) in complex with cyclic peptide 35 | Descriptor: | (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Orth, P. | Deposit date: | 2021-09-10 | Release date: | 2021-11-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.272 Å) | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors. J.Med.Chem., 64, 2021
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7S5G
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![BU of 7s5g by Molmil](/molmil-images/mine/7s5g) | PCSK9 in complex with compound 19 | Descriptor: | (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Orth, P. | Deposit date: | 2021-09-10 | Release date: | 2021-11-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.041 Å) | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors. J.Med.Chem., 64, 2021
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5HU9
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![BU of 5hu9 by Molmil](/molmil-images/mine/5hu9) | Crystal structure of ABL1 in complex with CHMFL-074 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ... | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2016-01-27 | Release date: | 2016-07-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.529 Å) | Cite: | Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML) Oncotarget, 7, 2016
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8YRH
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![BU of 8yrh by Molmil](/molmil-images/mine/8yrh) | Complex of SARS-CoV-2 main protease and Rosmarinic acid | Descriptor: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, 3C-like proteinase nsp5 | Authors: | Wang, Q.S, Li, Q.H. | Deposit date: | 2024-03-21 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Structural basis of rosmarinic acid inhibitory mechanism on SARS-CoV-2 main protease. Biochem.Biophys.Res.Commun., 724, 2024
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8QJR
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![BU of 8qjr by Molmil](/molmil-images/mine/8qjr) | BRG1 bromodomain in complex with VBC via compound 17 | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | Deposit date: | 2023-09-13 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8QJS
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![BU of 8qjs by Molmil](/molmil-images/mine/8qjs) | VHL/Elongin B/Elongin C complex with compound 155 | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | Deposit date: | 2023-09-13 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.191 Å) | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8QJT
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![BU of 8qjt by Molmil](/molmil-images/mine/8qjt) | BRM (SMARCA2) Bromodomain in complex with ligand 10 | Descriptor: | 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ... | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | Deposit date: | 2023-09-13 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.568 Å) | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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7DEO
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![BU of 7deo by Molmil](/molmil-images/mine/7deo) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ... | Authors: | Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-04 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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7DET
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![BU of 7det by Molmil](/molmil-images/mine/7det) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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7DEU
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![BU of 7deu by Molmil](/molmil-images/mine/7deu) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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5J87
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![BU of 5j87 by Molmil](/molmil-images/mine/5j87) | |
4K3D
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![BU of 4k3d by Molmil](/molmil-images/mine/4k3d) | Crystal structure of bovine antibody BLV1H12 with ultralong CDR H3 | Descriptor: | BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Ekiert, D.C, Wang, F, Wilson, I.A. | Deposit date: | 2013-04-10 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Reshaping antibody diversity. Cell(Cambridge,Mass.), 153, 2013
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4K3E
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![BU of 4k3e by Molmil](/molmil-images/mine/4k3e) | Crystal structure of bovine antibody BLV5B8 with ultralong CDR H3 | Descriptor: | BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Ekiert, D.C, Wang, F, Wilson, I.A. | Deposit date: | 2013-04-10 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Reshaping antibody diversity. Cell(Cambridge,Mass.), 153, 2013
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6L35
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![BU of 6l35 by Molmil](/molmil-images/mine/6l35) | PSI-LHCI Supercomplex from Physcometrella patens | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Zhao, L, Yan, Q.J, Qin, X.C. | Deposit date: | 2019-10-09 | Release date: | 2021-02-10 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Antenna arrangement and energy-transfer pathways of PSI-LHCI from the moss Physcomitrella patens. Cell Discov, 7, 2021
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4DBF
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![BU of 4dbf by Molmil](/molmil-images/mine/4dbf) | Crystal structures of Cg1458 | Descriptor: | 2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE, MAGNESIUM ION | Authors: | Ran, T.T, Xu, D.Q, Wang, W.W, Gao, Y.Y, Wang, M.T. | Deposit date: | 2012-01-15 | Release date: | 2012-11-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family. Biochem.J., 449, 2013
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3B9N
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![BU of 3b9n by Molmil](/molmil-images/mine/3b9n) | Crystal structure of long-chain alkane monooxygenase (LadA) | Descriptor: | Alkane monooxygenase | Authors: | Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z. | Deposit date: | 2007-11-06 | Release date: | 2008-01-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase J.Mol.Biol., 376, 2008
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3B9O
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![BU of 3b9o by Molmil](/molmil-images/mine/3b9o) | long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN | Descriptor: | Alkane monooxygenase, FLAVIN MONONUCLEOTIDE | Authors: | Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z. | Deposit date: | 2007-11-06 | Release date: | 2008-01-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase J.Mol.Biol., 376, 2008
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8E5B
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![BU of 8e5b by Molmil](/molmil-images/mine/8e5b) | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone and Sofosbuvir at 3.3 Angstrom resolution | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-08-20 | Release date: | 2022-12-07 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels. Cell, 185, 2022
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8E59
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![BU of 8e59 by Molmil](/molmil-images/mine/8e59) | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone at 3.1 Angstrom resolution | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-08-20 | Release date: | 2022-12-07 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels. Cell, 185, 2022
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8E5A
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![BU of 8e5a by Molmil](/molmil-images/mine/8e5a) | Human L-type voltage-gated calcium channel Cav1.3 treated with 1.4 mM Sofosbuvir at 3.3 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-08-20 | Release date: | 2022-12-07 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels. Cell, 185, 2022
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8E57
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![BU of 8e57 by Molmil](/molmil-images/mine/8e57) | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-08-20 | Release date: | 2022-12-07 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels. Cell, 185, 2022
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