6LOZ
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![BU of 6loz by Molmil](/molmil-images/mine/6loz) | crystal structure of alpha-momorcharin in complex with adenine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein momordin I | Authors: | Fan, X, Jin, T. | Deposit date: | 2020-01-07 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs. Int.J.Biol.Macromol., 164, 2020
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6LP0
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![BU of 6lp0 by Molmil](/molmil-images/mine/6lp0) | crystal structure of alpha-momorcharin in complex with AMP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, Ribosome-inactivating protein momordin I | Authors: | Fan, X, Jin, T. | Deposit date: | 2020-01-07 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.519 Å) | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs. Int.J.Biol.Macromol., 164, 2020
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6LRQ
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![BU of 6lrq by Molmil](/molmil-images/mine/6lrq) | |
6LOR
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![BU of 6lor by Molmil](/molmil-images/mine/6lor) | crystal structure of alpha-momorcharin in complex with ADP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Ribosome-inactivating protein momordin I | Authors: | Fan, X, Jin, T. | Deposit date: | 2020-01-07 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs. Int.J.Biol.Macromol., 164, 2020
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6LOW
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![BU of 6low by Molmil](/molmil-images/mine/6low) | crystal structure of alpha-momorcharin in complex with GMP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-MONOPHOSPHATE, Ribosome-inactivating protein momordin I | Authors: | Fan, X, Jin, T. | Deposit date: | 2020-01-07 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs. Int.J.Biol.Macromol., 164, 2020
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6KG6
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![BU of 6kg6 by Molmil](/molmil-images/mine/6kg6) | Crystal structure of MavC/UBE2N-Ub complex | Descriptor: | MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N | Authors: | Wang, Y, Huang, Y, Chang, M, Feng, Y. | Deposit date: | 2019-07-10 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC. Nat Commun, 11, 2020
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5S9R
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![BU of 5s9r by Molmil](/molmil-images/mine/5s9r) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | Descriptor: | 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9O
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![BU of 5s9o by Molmil](/molmil-images/mine/5s9o) | CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide, Bromodomain-containing protein 2 | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9P
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![BU of 5s9p by Molmil](/molmil-images/mine/5s9p) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9Q
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![BU of 5s9q by Molmil](/molmil-images/mine/5s9q) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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6E29
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![BU of 6e29 by Molmil](/molmil-images/mine/6e29) | |
8PFI
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![BU of 8pfi by Molmil](/molmil-images/mine/8pfi) | Crystal structure of human TLR8 in complex with compound 34 | Descriptor: | (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Faller, M, Zink, F. | Deposit date: | 2023-06-16 | Release date: | 2023-08-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.785 Å) | Cite: | Discovery of the TLR7/8 Antagonist MHV370 for Treatment of Systemic Autoimmune Diseases. Acs Med.Chem.Lett., 14, 2023
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7R1U
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![BU of 7r1u by Molmil](/molmil-images/mine/7r1u) | Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor | Descriptor: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | Deposit date: | 2022-02-03 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16. Protein Sci., 31, 2022
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7R1T
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![BU of 7r1t by Molmil](/molmil-images/mine/7r1t) | Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the SS148 inhibitor | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | Deposit date: | 2022-02-03 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16. Protein Sci., 31, 2022
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2H31
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![BU of 2h31 by Molmil](/molmil-images/mine/2h31) | Crystal structure of human PAICS, a bifunctional carboxylase and synthetase in purine biosynthesis | Descriptor: | CARBON DIOXIDE, Multifunctional protein ADE2 | Authors: | Li, S.-X, Tong, Y.-P, Xie, X.-C, Li, S.-G, Bi, R.-C. | Deposit date: | 2006-05-21 | Release date: | 2007-01-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Octameric structure of the human bifunctional enzyme PAICS in purine biosynthesis. J.Mol.Biol., 366, 2007
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7X08
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![BU of 7x08 by Molmil](/molmil-images/mine/7x08) | S protein of SARS-CoV-2 in complex with 2G1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | Deposit date: | 2022-02-21 | Release date: | 2022-03-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD. Cell Discov, 8, 2022
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7E3L
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![BU of 7e3l by Molmil](/molmil-images/mine/7e3l) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ... | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | Deposit date: | 2021-02-09 | Release date: | 2021-09-15 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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7E3K
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![BU of 7e3k by Molmil](/molmil-images/mine/7e3k) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | Descriptor: | 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | Deposit date: | 2021-02-09 | Release date: | 2021-09-15 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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7SHH
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![BU of 7shh by Molmil](/molmil-images/mine/7shh) | |
7DHX
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![BU of 7dhx by Molmil](/molmil-images/mine/7dhx) | Crystal structure of SARS-CoV-2 RBD binding to pangolin ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ZINC ION, ... | Authors: | Wang, Q.H, Qi, J.X, Wu, L.L. | Deposit date: | 2020-11-17 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis of pangolin ACE2 engaged by COVID-19 virus Chin.Sci.Bull., 66, 2021
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3VPI
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![BU of 3vpi by Molmil](/molmil-images/mine/3vpi) | |
8HJ2
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![BU of 8hj2 by Molmil](/molmil-images/mine/8hj2) | GPR21 wt with G15 complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Chen, B, Lin, X, Xu, F. | Deposit date: | 2022-11-22 | Release date: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of orphan GPR21 signaling complexes. Nat Commun, 14, 2023
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8HJ0
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![BU of 8hj0 by Molmil](/molmil-images/mine/8hj0) | GPR21(m5) and G15 complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Chen, B, Lin, X. | Deposit date: | 2022-11-22 | Release date: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cryo-EM structures of orphan GPR21 signaling complexes. Nat Commun, 14, 2023
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8HIX
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![BU of 8hix by Molmil](/molmil-images/mine/8hix) | Cryo-EM structure of GPR21_m5_Gs | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Chen, B, Lin, X, Xu, F. | Deposit date: | 2022-11-22 | Release date: | 2023-03-15 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cryo-EM structures of orphan GPR21 signaling complexes. Nat Commun, 14, 2023
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7CHF
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![BU of 7chf by Molmil](/molmil-images/mine/7chf) | |