8HTR
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![BU of 8htr by Molmil](/molmil-images/mine/8htr) | Crystal structure of Bcl2 in complex with S-9c | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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8HTS
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![BU of 8hts by Molmil](/molmil-images/mine/8hts) | Crystal structure of Bcl2 in complex with S-10r | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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4WD5
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![BU of 4wd5 by Molmil](/molmil-images/mine/4wd5) | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide | Authors: | Yun, C.H, Eck, M.J. | Deposit date: | 2014-09-07 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 To Be Published
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4E1Z
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![BU of 4e1z by Molmil](/molmil-images/mine/4e1z) | |
4LTS
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![BU of 4lts by Molmil](/molmil-images/mine/4lts) | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | Deposit date: | 2013-07-23 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.692 Å) | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4LWW
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![BU of 4lww by Molmil](/molmil-images/mine/4lww) | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | Deposit date: | 2013-07-28 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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3NKS
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![BU of 3nks by Molmil](/molmil-images/mine/3nks) | Structure of human protoporphyrinogen IX oxidase | Descriptor: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Shen, Y. | Deposit date: | 2010-06-21 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insight into human variegate porphyria disease Faseb J., 25, 2011
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8YZ7
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![BU of 8yz7 by Molmil](/molmil-images/mine/8yz7) | |
8HW4
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![BU of 8hw4 by Molmil](/molmil-images/mine/8hw4) | Cryo-EM structure of dehydroepiandrosterone sulfate-bound human ABC transporter ABCC3 in nanodiscs | Descriptor: | 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, ATP-binding cassette sub-family C member 3 | Authors: | Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2022-12-28 | Release date: | 2023-06-07 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket. Embo J., 42, 2023
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8HVH
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![BU of 8hvh by Molmil](/molmil-images/mine/8hvh) | Cryo-EM structure of ABC transporter ABCC3 | Descriptor: | ATP-binding cassette sub-family C member 3 | Authors: | Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2022-12-26 | Release date: | 2023-06-07 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket. Embo J., 42, 2023
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8HW2
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![BU of 8hw2 by Molmil](/molmil-images/mine/8hw2) | Cryo-EM structure of beta-estradiol 17-(beta-D-glucuronide)-bound human ABC transporter ABCC3 in nanodiscs | Descriptor: | ATP-binding cassette sub-family C member 3, Estradiol-17beta-glucuronide | Authors: | Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2022-12-28 | Release date: | 2023-06-07 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket. Embo J., 42, 2023
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4X1D
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![BU of 4x1d by Molmil](/molmil-images/mine/4x1d) | Ytterbium-bound human serum transferrin | Descriptor: | GLYCEROL, MALONATE ION, Serotransferrin, ... | Authors: | Wang, M, Zhang, H, Sun, H. | Deposit date: | 2014-11-24 | Release date: | 2015-04-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | "Anion clamp" allows flexible protein to impose coordination geometry on metal ions Chem.Commun.(Camb.), 51, 2015
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8HLP
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![BU of 8hlp by Molmil](/molmil-images/mine/8hlp) | Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 (apo) | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wei, Y, Yu, Z, Zhao, Y. | Deposit date: | 2022-11-30 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors. Nat Commun, 15, 2024
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8HMB
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![BU of 8hmb by Molmil](/molmil-images/mine/8hmb) | Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with benidipine (BEN) | Descriptor: | (3R)-1-benzylpiperidin-3-yl methyl (2R,3R,4R,5R,6S)-2,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wei, Y, Yu, Z, Zhao, Y. | Deposit date: | 2022-12-02 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors. Nat Commun, 15, 2024
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8HMA
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![BU of 8hma by Molmil](/molmil-images/mine/8hma) | Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with tetrandrine (TET) | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman, ... | Authors: | Wei, Y, Yu, Z, Zhao, Y. | Deposit date: | 2022-12-02 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors. Nat Commun, 15, 2024
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7YQH
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![BU of 7yqh by Molmil](/molmil-images/mine/7yqh) | Cryo-EM structure of 8-subunit Smc5/6 | Descriptor: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 3, ... | Authors: | Qian, L, Jun, Z, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W. | Deposit date: | 2022-08-07 | Release date: | 2024-01-31 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8HIH
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![BU of 8hih by Molmil](/molmil-images/mine/8hih) | Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Lin, W, Shi, J, Xu, J.C. | Deposit date: | 2022-11-20 | Release date: | 2023-06-07 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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7TBF
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![BU of 7tbf by Molmil](/molmil-images/mine/7tbf) | Locally refined region of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-61.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ... | Authors: | Zhou, T, Tsybovsky, T, Kwong, P.D. | Deposit date: | 2021-12-21 | Release date: | 2022-03-30 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529. Science, 376, 2022
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7TB8
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![BU of 7tb8 by Molmil](/molmil-images/mine/7tb8) | Cryo-EM structure of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhou, T, Tsybovsky, T, Kwong, P.D. | Deposit date: | 2021-12-21 | Release date: | 2022-03-30 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529. Science, 376, 2022
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7TCA
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![BU of 7tca by Molmil](/molmil-images/mine/7tca) | Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibody A19-46.1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, ... | Authors: | Zhou, T, Kwong, P.D. | Deposit date: | 2021-12-23 | Release date: | 2022-03-30 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529. Science, 376, 2022
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7TCC
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![BU of 7tcc by Molmil](/molmil-images/mine/7tcc) | |
7TC9
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![BU of 7tc9 by Molmil](/molmil-images/mine/7tc9) | |
7TDZ
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![BU of 7tdz by Molmil](/molmil-images/mine/7tdz) | |
7YRD
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![BU of 7yrd by Molmil](/molmil-images/mine/7yrd) | histone methyltransferase | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ... | Authors: | Li, H, Wang, W.Y. | Deposit date: | 2022-08-09 | Release date: | 2023-08-16 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1. Mol.Cell, 83, 2023
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7YRG
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![BU of 7yrg by Molmil](/molmil-images/mine/7yrg) | histone methyltransferase | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ... | Authors: | Li, H, Wang, W.Y. | Deposit date: | 2022-08-09 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1. Mol.Cell, 83, 2023
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