4NAD
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5XJN
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![BU of 5xjn by Molmil](/molmil-images/mine/5xjn) | cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate | Descriptor: | (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dong, S, Du, L, Li, S, Feng, Y. | Deposit date: | 2017-05-03 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VT2
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![BU of 5vt2 by Molmil](/molmil-images/mine/5vt2) | Crystal structure of growth differentiation factor | Descriptor: | 1,2-ETHANEDIOL, Growth/differentiation factor 15 | Authors: | Min, X, Wang, Z. | Deposit date: | 2017-05-15 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys. Sci Transl Med, 9, 2017
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5T45
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![BU of 5t45 by Molmil](/molmil-images/mine/5t45) | Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP.BeFx form | Descriptor: | 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Sirigu, S, Planelles-Herrero, V.J, Hartman, J, Houdusse, A. | Deposit date: | 2016-08-29 | Release date: | 2016-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Highly selective inhibition of myosin motors provides the basis of potential therapeutic application. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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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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5U2J
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8I21
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![BU of 8i21 by Molmil](/molmil-images/mine/8i21) | Cryo-EM structure of 6-subunit Smc5/6 arm region | Descriptor: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6 | Authors: | Jun, Z, Qian, L, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W. | Deposit date: | 2023-01-13 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (6.02 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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3UTK
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4QVX
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8I4Z
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![BU of 8i4z by Molmil](/molmil-images/mine/8i4z) | CalA3 with hydrolysis product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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8I4Y
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![BU of 8i4y by Molmil](/molmil-images/mine/8i4y) | CalA3 complex structure with amidation product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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8WB2
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![BU of 8wb2 by Molmil](/molmil-images/mine/8wb2) | Heme-bound Arabidopsis thaliana temperature-induced lipocalin | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Temperature-induced lipocalin-1 | Authors: | Dong, C, Liu, L. | Deposit date: | 2023-09-08 | Release date: | 2023-12-27 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic and functional studies of a plant temperature-induced lipocalin. Biochim Biophys Acta Gen Subj, 1868, 2023
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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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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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8VW5
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![BU of 8vw5 by Molmil](/molmil-images/mine/8vw5) | Crystal structure of Cbl-b TKB bound to compound 2 | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ... | Authors: | Yu, C, Murray, J, Hsu, P.L. | Deposit date: | 2024-01-31 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding. Acs Med.Chem.Lett., 15, 2024
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8VW4
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![BU of 8vw4 by Molmil](/molmil-images/mine/8vw4) | Crystal structure of Cbl-b TKB bound to compound 26 | Descriptor: | (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase CBL-B, ... | Authors: | Yu, C, Murray, J, Hsu, P.L. | Deposit date: | 2024-01-31 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding. Acs Med.Chem.Lett., 15, 2024
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3WLW
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![BU of 3wlw by Molmil](/molmil-images/mine/3wlw) | Molecular Architecture of the ErbB2 Extracellular Domain Homodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody H Chain, ... | Authors: | Hu, S, Lou, Z.Y, Guo, Y.J. | Deposit date: | 2013-11-15 | Release date: | 2015-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.088 Å) | Cite: | Molecular architecture of the ErbB2 extracellular domain homodimer. Oncotarget, 6, 2015
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7WVZ
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![BU of 7wvz by Molmil](/molmil-images/mine/7wvz) | CalA3_modular PKS_KS-AT-DH-KR | Descriptor: | Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2022-02-12 | Release date: | 2023-02-22 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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7CMW
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![BU of 7cmw by Molmil](/molmil-images/mine/7cmw) | Complex structure of PARP1 catalytic domain with pamiparib | Descriptor: | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1 | Authors: | Feng, Y.C, Peng, H, Hong, Y, Liu, Y. | Deposit date: | 2020-07-29 | Release date: | 2020-12-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development. J.Med.Chem., 63, 2020
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6M89
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![BU of 6m89 by Molmil](/molmil-images/mine/6m89) | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with quercetin | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2018-08-21 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis. J. Med. Chem., 62, 2019
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6M8D
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7AER
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![BU of 7aer by Molmil](/molmil-images/mine/7aer) | Rebuilt and re-refined PDB entry 5yep: tri-AMPylated Shewanella oneidensis HEPN toxin in complex with MNT antitoxin | Descriptor: | ADENOSINE MONOPHOSPHATE, Toxin-antitoxin system antidote Mnt family, Toxin-antitoxin system toxin HepN family | Authors: | Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V. | Deposit date: | 2020-09-18 | Release date: | 2020-12-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation. Mol.Cell, 80, 2020
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7WG7
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![BU of 7wg7 by Molmil](/molmil-images/mine/7wg7) | Acidic Omicron Spike Trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Cui, Z. | Deposit date: | 2021-12-28 | Release date: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron. Cell, 185, 2022
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7WGC
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![BU of 7wgc by Molmil](/molmil-images/mine/7wgc) | Neutral Omicron Spike Trimer in complex with ACE2. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Cui, Z. | Deposit date: | 2021-12-28 | Release date: | 2022-06-22 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron. Cell, 185, 2022
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7WG9
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![BU of 7wg9 by Molmil](/molmil-images/mine/7wg9) | Delta Spike Trimer(1 RBD Up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Cui, Z. | Deposit date: | 2021-12-28 | Release date: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron. Cell, 185, 2022
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