5IE1
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![BU of 5ie1 by Molmil](/molmil-images/mine/5ie1) | Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | Descriptor: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | Deposit date: | 2016-02-24 | Release date: | 2016-03-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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6Y9D
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![BU of 6y9d by Molmil](/molmil-images/mine/6y9d) | Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate L-Carnitine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARNITINE, Carnitine monooxygenase oxygenase subunit, ... | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | Deposit date: | 2020-03-06 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer. J.Biol.Chem., 296, 2020
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8W6O
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![BU of 8w6o by Molmil](/molmil-images/mine/8w6o) | NaS1 in IN/IN state | Descriptor: | CHOLESTEROL, SODIUM ION, Solute carrier family 13 member 1 | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-29 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6G
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![BU of 8w6g by Molmil](/molmil-images/mine/8w6g) | NaDC1 with inhibitor ACA | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-28 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6T
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![BU of 8w6t by Molmil](/molmil-images/mine/8w6t) | NaS1 in IN/OUT state | Descriptor: | Solute carrier family 13 member 1 | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-29 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6H
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![BU of 8w6h by Molmil](/molmil-images/mine/8w6h) | NaS1 with sulfate - IN/IN state | Descriptor: | CHOLESTEROL, SODIUM ION, SULFATE ION, ... | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-28 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6C
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![BU of 8w6c by Molmil](/molmil-images/mine/8w6c) | CryoEM structure of NaDC1 with Citrate | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, CITRIC ACID, ... | Authors: | Chi, X, Chen, Y, Li, Y, Dai, L, Zhang, Y, Shen, Y, Chen, Y, Shi, T, Yang, H, Wang, Z, Yan, R. | Deposit date: | 2023-08-28 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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6Y8S
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![BU of 6y8s by Molmil](/molmil-images/mine/6y8s) | Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate gamma-butyrobetaine | Descriptor: | 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | Deposit date: | 2020-03-05 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.629 Å) | Cite: | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer. J.Biol.Chem., 296, 2020
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8IOD
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![BU of 8iod by Molmil](/molmil-images/mine/8iod) | Cryo-EM structure of the PG-901-bound human melanocortin receptor 5 (MC5R)-Gs complex | Descriptor: | CALCIUM ION, 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,HiBiT, ... | Authors: | Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W. | Deposit date: | 2023-03-10 | Release date: | 2023-09-20 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors. Cell Discov, 9, 2023
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8INR
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![BU of 8inr by Molmil](/molmil-images/mine/8inr) | Cryo-EM structure of the alpha-MSH-bound human melanocortin receptor 5 (MC5R)-Gs complex | Descriptor: | CALCIUM ION, 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,HiBiT, ... | Authors: | Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W. | Deposit date: | 2023-03-10 | Release date: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors. Cell Discov, 9, 2023
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8IOC
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![BU of 8ioc by Molmil](/molmil-images/mine/8ioc) | Cryo-EM structure of the gamma-MSH-bound human melanocortin receptor 3 (MC3R)-Gs complex | Descriptor: | CALCIUM ION, 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,HiBiT, ... | Authors: | Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S. | Deposit date: | 2023-03-10 | Release date: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors. Cell Discov, 9, 2023
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8IJR
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![BU of 8ijr by Molmil](/molmil-images/mine/8ijr) | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with diacylglycerol/phosphoethanolamine | Descriptor: | (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-02-28 | Release date: | 2024-02-28 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 2024
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8IJQ
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![BU of 8ijq by Molmil](/molmil-images/mine/8ijq) | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide | Descriptor: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-02-27 | Release date: | 2024-02-28 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 2024
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1Y7H
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![BU of 1y7h by Molmil](/molmil-images/mine/1y7h) | Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | Descriptor: | THIOCYANATE ION, salicylic acid-binding protein 2 | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-12-08 | Release date: | 2004-12-28 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity Proc.Natl.Acad.Sci.Usa, 102, 2005
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8FTL
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![BU of 8ftl by Molmil](/molmil-images/mine/8ftl) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 | Descriptor: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2023-01-12 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 To Be Published
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8KGR
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![BU of 8kgr by Molmil](/molmil-images/mine/8kgr) | Structure of African swine fever virus topoisomerase II in complex with dsDNA | Descriptor: | DNA (32-MER), DNA (33-MER), DNA topoisomerase 2, ... | Authors: | Cong, J, Xin, U, Li, X, Chen, Y. | Deposit date: | 2023-08-19 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of African swine fever virus topoisomerase II in complex with dsDNA To Be Published
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4ZNO
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![BU of 4zno by Molmil](/molmil-images/mine/4zno) | Crystal structure of Dln1 complexed with sucrose | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Natterin-like protein, ... | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | Deposit date: | 2015-05-05 | Release date: | 2016-01-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein. Embo Rep., 17, 2016
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4ZNQ
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![BU of 4znq by Molmil](/molmil-images/mine/4znq) | Crystal structure of Dln1 complexed with Man(alpha1-2)Man | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | Deposit date: | 2015-05-05 | Release date: | 2016-01-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein. Embo Rep., 17, 2016
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4ZNR
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![BU of 4znr by Molmil](/molmil-images/mine/4znr) | Crystal structure of Dln1 complexed with Man(alpha1-3)Man | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | Deposit date: | 2015-05-05 | Release date: | 2016-01-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein. Embo Rep., 17, 2016
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1VBT
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![BU of 1vbt by Molmil](/molmil-images/mine/1vbt) | Structure of cyclophilin complexed with sulfur-substituted tetrapeptide AAPF | Descriptor: | CYCLOPHILIN A, SULFUR-SUBSTITUTED TETRAPEPTIDE | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | Deposit date: | 1998-06-16 | Release date: | 1999-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insight Into Conversion of Substrate to Inhibitor To be Published
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5Y2V
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![BU of 5y2v by Molmil](/molmil-images/mine/5y2v) | Strcutrue of the full-length CcmR complexed with 2-OG from Synechocystis PCC6803 | Descriptor: | 2-OXOGLUTARIC ACID, PHOSPHATE ION, Rubisco operon transcriptional regulator | Authors: | Jiang, Y.L, Wang, X.P, Sun, H, Cheng, W, Han, S.J, Li, W.F, Chen, Y, Zhou, C.Z. | Deposit date: | 2017-07-27 | Release date: | 2017-12-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Coordinating carbon and nitrogen metabolic signaling through the cyanobacterial global repressor NdhR. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5Y2W
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![BU of 5y2w by Molmil](/molmil-images/mine/5y2w) | Structure of Synechocystis PCC6803 CcmR regulatory domain in complex with 2-PG | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Rubisco operon transcriptional regulator | Authors: | Jiang, Y.L, Wang, X.P, Sun, H, Cheng, W, Cao, D.D, Han, S.J, Li, W.F, Chen, Y, Zhou, C.Z. | Deposit date: | 2017-07-27 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Coordinating carbon and nitrogen metabolic signaling through the cyanobacterial global repressor NdhR. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6PSG
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![BU of 6psg by Molmil](/molmil-images/mine/6psg) | Crystal Structure of Class D Beta-lactamase OXA-48 with Faropenem | Descriptor: | (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48, ... | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-07-12 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase. Acs Infect Dis., 6, 2020
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6PTU
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![BU of 6ptu by Molmil](/molmil-images/mine/6ptu) | |
6PT5
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![BU of 6pt5 by Molmil](/molmil-images/mine/6pt5) | Crystal Structure of Class D Beta-lactamase OXA-48 with Cefoxitin | Descriptor: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48 | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-07-14 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase. Acs Infect Dis., 6, 2020
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