7DY7
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![BU of 7dy7 by Molmil](/molmil-images/mine/7dy7) | Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation | Descriptor: | 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1 | Authors: | Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B. | Deposit date: | 2021-01-20 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation. J.Med.Chem., 65, 2022
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8JMV
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8JMW
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![BU of 8jmw by Molmil](/molmil-images/mine/8jmw) | Fibril form of serine peptidase Vpr | Descriptor: | S8 family serine peptidase | Authors: | Cao, Q, Cheng, Y. | Deposit date: | 2023-06-05 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Serine peptidase Vpr forms enzymatically active fibrils outside Bacillus bacteria revealed by cryo-EM. Nat Commun, 14, 2023
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4V8U
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![BU of 4v8u by Molmil](/molmil-images/mine/4v8u) | Crystal Structure of 70S Ribosome with Both Cognate tRNAs in the E and P Sites Representing an Authentic Elongation Complex. | Descriptor: | 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Gao, Y.G, Feng, S, Chen, Y. | Deposit date: | 2012-08-28 | Release date: | 2014-07-09 | Last modified: | 2019-10-30 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Crystal structure of 70S ribosome with both cognate tRNAs in the E and P sites representing an authentic elongation complex. PLoS ONE, 8, 2013
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7RSJ
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![BU of 7rsj by Molmil](/molmil-images/mine/7rsj) | Structure of the VPS34 kinase domain with compound 14 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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7RSP
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![BU of 7rsp by Molmil](/molmil-images/mine/7rsp) | Structure of the VPS34 kinase domain with compound 14 | Descriptor: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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7RSV
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![BU of 7rsv by Molmil](/molmil-images/mine/7rsv) | Structure of the VPS34 kinase domain with compound 5 | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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2XR0
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![BU of 2xr0 by Molmil](/molmil-images/mine/2xr0) | Room temperature X-ray structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase | Descriptor: | SULFATE ION, TOHO-1 BETA-LACTAMASE | Authors: | Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L. | Deposit date: | 2010-09-08 | Release date: | 2010-12-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation. FEBS Lett., 585, 2011
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6ZGP
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![BU of 6zgp by Molmil](/molmil-images/mine/6zgp) | Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with inhibitor MMV12 (MMV020670) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D.H, Cameron, A, Chen, Y. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer. J.Biol.Chem., 296, 2020
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3V36
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![BU of 3v36 by Molmil](/molmil-images/mine/3v36) | Aldose reductase complexed with glceraldehyde | Descriptor: | Aldose reductase, D-Glyceraldehyde, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X. | Deposit date: | 2011-12-13 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Partial inhibition of aldose reductase by nitazoxanide and its molecular basis. Chemmedchem, 7, 2012
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5K5S
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![BU of 5k5s by Molmil](/molmil-images/mine/5k5s) | Crystal structure of the active form of human calcium-sensing receptor extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ... | Authors: | Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R. | Deposit date: | 2016-05-23 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural mechanism of ligand activation in human calcium-sensing receptor. Elife, 5, 2016
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3HIX
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![BU of 3hix by Molmil](/molmil-images/mine/3hix) | Crystal Structure of the Rhodanese_3 like domain from Anabaena sp Alr3790 protein. Northeast Structural Genomics Consortium Target NsR437i | Descriptor: | Alr3790 protein, MANGANESE (II) ION | Authors: | Vorobiev, S, Chen, Y, Forouhar, F, Maglaqui, M, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-05-20 | Release date: | 2009-05-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of the Rhodanese_3 like domain from Anabaena sp Alr3790 protein. To be Published
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7RN0
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7RN1
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2FS1
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![BU of 2fs1 by Molmil](/molmil-images/mine/2fs1) | solution structure of PSD-1 | Descriptor: | PSD-1 | Authors: | He, Y, Rozak, D.A, Sari, N, Chen, Y, Bryan, P, Orban, J. | Deposit date: | 2006-01-20 | Release date: | 2006-12-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure, dynamics, and stability variation in bacterial albumin binding modules: implications for species specificity. Biochemistry, 45, 2006
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4F11
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![BU of 4f11 by Molmil](/molmil-images/mine/4f11) | Crystal structure of the extracellular domain of human GABA(B) receptor GBR2 | Descriptor: | Gamma-aminobutyric acid type B receptor subunit 2 | Authors: | Geng, Y, Xiong, D, Mosyak, L, Malito, D.L, Kniazeff, J, Chen, Y, Burmakina, S, Quick, M, Bush, M, Javitch, J.A, Pin, J.-P, Fan, Q.R. | Deposit date: | 2012-05-05 | Release date: | 2012-06-06 | Last modified: | 2012-08-15 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure and functional interaction of the extracellular domain of human GABA(B) receptor GBR2. Nat.Neurosci., 15, 2012
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4U88
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8SXO
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5VKQ
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![BU of 5vkq by Molmil](/molmil-images/mine/5vkq) | Structure of a mechanotransduction ion channel Drosophila NOMPC in nanodisc | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, No mechanoreceptor potential C isoform L | Authors: | Jin, P, Bulkley, D, Guo, Y, Zhang, W, Guo, Z, Huynh, W, Wu, S, Meltzer, S, Chen, T, Jan, L.Y, Jan, Y.-N, Cheng, Y. | Deposit date: | 2017-04-22 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Electron cryo-microscopy structure of the mechanotransduction channel NOMPC. Nature, 547, 2017
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5VLE
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5DEP
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![BU of 5dep by Molmil](/molmil-images/mine/5dep) | Structure of Pseudomonas aeruginosa LpxA in complex with UDP-GlcNAc | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Smith, E.W, Chen, Y. | Deposit date: | 2015-08-25 | Release date: | 2015-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity. Biochemistry, 54, 2015
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5DG3
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6DD1
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6D7I
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![BU of 6d7i by Molmil](/molmil-images/mine/6d7i) | CTX-M-14 Apoenzyme D233N Point Mutant | Descriptor: | Beta-lactamase | Authors: | Kemp, M, Nichols, D, Chen, Y. | Deposit date: | 2018-04-24 | Release date: | 2019-07-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase To be Published
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6DD0
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![BU of 6dd0 by Molmil](/molmil-images/mine/6dd0) | Crystal structure of VIM-2 complexed with compound 8 | Descriptor: | ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-05-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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