7C7W
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![BU of 7c7w by Molmil](/molmil-images/mine/7c7w) | Vitamin D3 receptor/lithochoric acid derivative complex | Descriptor: | (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Masuno, H, Numoto, N, Kagechika, H, Ito, N. | Deposit date: | 2020-05-26 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists. J.Med.Chem., 64, 2021
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3HJR
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![BU of 3hjr by Molmil](/molmil-images/mine/3hjr) | Crystal structure of serine protease of Aeromonas sobria | Descriptor: | CALCIUM ION, Extracellular serine protease | Authors: | Utsunomiya, H, Tsuge, H, Kobayashi, H, Okamoto, K. | Deposit date: | 2009-05-22 | Release date: | 2009-06-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for the kexin-like serine protease from Aeromonas sobria as a sepsis-causing factor J.Biol.Chem., 284, 2009
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8WLS
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![BU of 8wls by Molmil](/molmil-images/mine/8wls) | |
2XFL
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![BU of 2xfl by Molmil](/molmil-images/mine/2xfl) | Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the Dynemicin thioesterase | Descriptor: | DYNE7 | Authors: | Liew, C.W, Sharff, A, Kotaka, M, Kong, R, Sun, H, Bricogne, G, Liang, Z, Lescar, J. | Deposit date: | 2010-05-26 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Induced-Fit Upon Ligand Binding Revealed by Crystal Structures of the Hot-Dog Fold Thioesterase in Dynemicin Biosynthesis. J.Mol.Biol., 404, 2010
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4X1B
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![BU of 4x1b by Molmil](/molmil-images/mine/4x1b) | Human serum transferrin with ferric ion bound at the C-lobe only | Descriptor: | FE (III) ION, GLYCEROL, MALONATE ION, ... | 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 (2.45 Å) | Cite: | "Anion clamp" allows flexible protein to impose coordination geometry on metal ions Chem.Commun.(Camb.), 51, 2015
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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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4DZO
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2W3X
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![BU of 2w3x by Molmil](/molmil-images/mine/2w3x) | Crystal structure of a bifunctional hotdog fold thioesterase in enediyne biosynthesis, CalE7 | Descriptor: | CALE7, GLYCEROL, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), ... | Authors: | Kotaka, M, Kong, R, Qureshi, I, Ho, Q.S, Sun, H, Liew, C.W, Goh, L.P, Cheung, P, Mu, Y, Lescar, J, Liang, Z.X. | Deposit date: | 2008-11-17 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Catalytic Mechanism of the Thioesterase Cale7 in Enediyne Biosynthesis. J.Biol.Chem., 284, 2009
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1QHI
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![BU of 1qhi by Molmil](/molmil-images/mine/1qhi) | HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | Descriptor: | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION | Authors: | Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R. | Deposit date: | 1999-05-12 | Release date: | 1999-07-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir. FEBS Lett., 443, 1999
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7CGC
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![BU of 7cgc by Molmil](/molmil-images/mine/7cgc) | |
7CGD
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![BU of 7cgd by Molmil](/molmil-images/mine/7cgd) | Silver-bound E.coli malate dehydrogenase | Descriptor: | Malate dehydrogenase, SILVER ION | Authors: | Wang, H, Wang, M, Sun, H. | Deposit date: | 2020-07-01 | Release date: | 2020-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm. Chem Sci, 11, 2020
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7CB0
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7CB5
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![BU of 7cb5 by Molmil](/molmil-images/mine/7cb5) | |
7CB6
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![BU of 7cb6 by Molmil](/molmil-images/mine/7cb6) | |
7CB2
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7YP1
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![BU of 7yp1 by Molmil](/molmil-images/mine/7yp1) | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement) | Descriptor: | 10E4 heavy chain, 10E4 light chain, EBV gH, ... | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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7YOY
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![BU of 7yoy by Molmil](/molmil-images/mine/7yoy) | Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement) | Descriptor: | 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ... | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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7YP2
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![BU of 7yp2 by Molmil](/molmil-images/mine/7yp2) | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement) | Descriptor: | 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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6BNS
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![BU of 6bns by Molmil](/molmil-images/mine/6bns) | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera | Authors: | DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H. | Deposit date: | 2017-11-17 | Release date: | 2017-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorg. Med. Chem. Lett., 28, 2018
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8GTD
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![BU of 8gtd by Molmil](/molmil-images/mine/8gtd) | Cryo-EM model of the marine siphophage vB_DshS-R4C portal-adaptor complex | Descriptor: | Head-to-tail joining protein, Portal protein | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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8GTB
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![BU of 8gtb by Molmil](/molmil-images/mine/8gtb) | Cryo-EM structure of the marine siphophage vB_DshS-R4C tail tube protein | Descriptor: | Major tail protein | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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8GTC
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![BU of 8gtc by Molmil](/molmil-images/mine/8gtc) | Cryo-EM model of the marine siphophage vB_DshS-R4C baseplate-tail complex | Descriptor: | Distal tail protein, Hub protein, Major tail protein, ... | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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8GTF
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![BU of 8gtf by Molmil](/molmil-images/mine/8gtf) | Cryo-EM model of the marine siphophage vB_DshS-R4C stopper-terminator complex | Descriptor: | Head-to-tail joining protein, Major tail protein, Terminator protein | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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7CP2
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![BU of 7cp2 by Molmil](/molmil-images/mine/7cp2) | Crystal structure of the African swine fever virus core shell protein p15 | Descriptor: | CP530R | Authors: | Liu, K.F, Meng, Y.M, Chai, Y, Li, L.J, Sun, H, Gao, G.F, Tan, S.G, Qi, J.X. | Deposit date: | 2020-08-05 | Release date: | 2020-10-28 | Last modified: | 2021-05-19 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure of the African swine fever virus core shell protein p15 Biosaf Health, 2021
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7CU5
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![BU of 7cu5 by Molmil](/molmil-images/mine/7cu5) | N-Glycosylation of PD-1 and glycosylation dependent binding of PD-1 specific monoclonal antibody camrelizumab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Programmed cell death protein 1, ... | Authors: | Liu, K.F, Tan, S.G, Jin, W.J, Guan, J.W, Wang, W.L, Sun, H, Qi, J.X, Yan, J.H, Chai, Y, Wang, Z.F, Chu, X.D, Gao, G.F. | Deposit date: | 2020-08-21 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | N-glycosylation of PD-1 promotes binding of camrelizumab. Embo Rep., 21, 2020
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