7X7T
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![BU of 7x7t by Molmil](/molmil-images/mine/7x7t) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with three nAbs X01, X10 and X17 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ... | Authors: | Sun, H, Liu, L, Zheng, Q, Li, S, Zhang, T, Xia, N. | Deposit date: | 2022-03-10 | Release date: | 2022-08-17 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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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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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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4TQM
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![BU of 4tqm by Molmil](/molmil-images/mine/4tqm) | Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lectin 2 | Authors: | Hu, Y.L, Ren, X.M, Li, D.F, Jiang, S, Lan, X.Q, Sun, H, Wang, D.C. | Deposit date: | 2014-06-11 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Specific Recognition of Non-Reducing Terminal N-Acetylglucosamine by an Agrocybe aegerita Lectin. Plos One, 10, 2015
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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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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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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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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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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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4DZO
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![BU of 4dzo by Molmil](/molmil-images/mine/4dzo) | |
8W5A
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![BU of 8w5a by Molmil](/molmil-images/mine/8w5a) | |
8W59
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![BU of 8w59 by Molmil](/molmil-images/mine/8w59) | |
4H0W
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![BU of 4h0w by Molmil](/molmil-images/mine/4h0w) | Bismuth bound human serum transferrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bismuth(III) ION, CARBONATE ION, ... | Authors: | Yang, N, Zhang, H, Wang, M, Hao, Q, Sun, H. | Deposit date: | 2012-09-10 | Release date: | 2012-12-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Iron and bismuth bound human serum transferrin reveals a partially-opened conformation in the N-lobe. Sci Rep, 2, 2012
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2KR7
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![BU of 2kr7 by Molmil](/molmil-images/mine/2kr7) | |
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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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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3QYT
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![BU of 3qyt by Molmil](/molmil-images/mine/3qyt) | Diferric bound human serum transferrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Yang, N, Zhang, H, Wang, M, Hao, Q, Sun, H. | Deposit date: | 2011-03-03 | Release date: | 2012-03-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Iron and bismuth bound human serum transferrin reveals a partially-opened conformation in the N-lobe Sci Rep, 2, 2012
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5XP6
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![BU of 5xp6 by Molmil](/molmil-images/mine/5xp6) | native structure of NDM-1 crystallized at pH5.5 | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ... | Authors: | Zhang, H, Ma, G, Lai, J, Sun, H. | Deposit date: | 2017-06-01 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors Nat Commun, 9, 2018
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5XP9
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![BU of 5xp9 by Molmil](/molmil-images/mine/5xp9) | Crystal structure of Bismuth bound NDM-1 | Descriptor: | Bismuth(III) ION, GLYCEROL, Metallo-beta-lactamase type 2 | Authors: | Zhang, H, Ma, G, Lai, T.P, Sun, H. | Deposit date: | 2017-06-01 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors Nat Commun, 9, 2018
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5Z3W
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![BU of 5z3w by Molmil](/molmil-images/mine/5z3w) | Malate dehydrogenase binds silver at C113 | Descriptor: | Malate dehydrogenase, SILVER ION | Authors: | Wang, H, Wang, M, Sun, H. | Deposit date: | 2018-01-09 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm Chem Sci, 2020
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2KI5
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![BU of 2ki5 by Molmil](/molmil-images/mine/2ki5) | HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION | Descriptor: | 9-HYROXYETHOXYMETHYLGUANINE, 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: | 1999-02-12 | Release date: | 1999-03-04 | Last modified: | 2023-08-30 | 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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5H52
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![BU of 5h52 by Molmil](/molmil-images/mine/5h52) | Structure of Titanium-bound human serum transferrin | Descriptor: | CITRIC ACID, MALONATE ION, Serotransferrin, ... | Authors: | Curtin, J.P, Wang, M, Sun, H. | Deposit date: | 2016-11-04 | Release date: | 2017-11-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The role of citrate, lactate and transferrin in determining titanium release from surgical devices into human serum. J. Biol. Inorg. Chem., 23, 2018
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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 | 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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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 | 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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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 | 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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