8I0C
 
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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4FZZ
 | | Exonuclease X in complex with 5' overhanging duplex DNA | | Descriptor: | DNA (5'-D(*GP*TP*CP*AP*TP*TP*GP*TP*GP*GP*AP*TP*CP*CP*GP*AP*G)-3'), Exodeoxyribonuclease 10, SODIUM ION | | Authors: | Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T. | | Deposit date: | 2012-07-08 | | Release date: | 2013-07-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
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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
 | | 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
 | | 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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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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6LHE
 | | Crystal Structure of Gold-bound NDM-1 | | Descriptor: | GOLD ION, Metallo-beta-lactamase type 2, SULFATE ION | | Authors: | Wang, H, Sun, H, Wang, M. | | Deposit date: | 2019-12-07 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.206 Å) | | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
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6LI4
 | | Crystal structure of MCR-1-S | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Zhang, Q, Wang, M, Sun, H. | | Deposit date: | 2019-12-10 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
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6LI5
 | | Crystal structure of apo-MCR-1-S | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1 | | Authors: | Zhang, Q, Wang, M, Sun, H. | | Deposit date: | 2019-12-10 | | Release date: | 2020-09-16 | | Last modified: | 2020-10-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
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4DZO
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4QY0
 | | Structure of H10 from human-infecting H10N8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | | Authors: | Wang, M, Zhang, W, Qi, J, Wang, F, Zhou, J, Bi, Y, Wu, Y, Sun, H, Liu, J, Huang, C, Li, X, Yan, J, Shu, Y, Shi, Y, Gao, G.F. | | Deposit date: | 2014-07-23 | | Release date: | 2015-01-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural basis for preferential avian receptor binding by the human-infecting H10N8 avian influenza virus
Nat Commun, 6, 2015
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4QY2
 | | Structure of H10 from human-infecting H10N8 virus in complex with human receptor analog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin | | Authors: | Wang, M, Zhang, W, Qi, J, Wang, F, Zhou, J, Bi, Y, Wu, Y, Sun, H, Liu, J, Huang, C, Li, X, Yan, J, Shu, Y, Shi, Y, Gao, G.F. | | Deposit date: | 2014-07-23 | | Release date: | 2015-01-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Structural basis for preferential avian receptor binding by the human-infecting H10N8 avian influenza virus
Nat Commun, 6, 2015
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4QY1
 | | Structure of H10 from human-infecting H10N8 in complex with avian receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, M, Zhang, W, Qi, J, Wang, F, Zhou, J, Bi, Y, Wu, Y, Sun, H, Liu, J, Huang, C, Li, X, Yan, J, Shu, Y, Shi, Y, Gao, G.F. | | Deposit date: | 2014-07-23 | | Release date: | 2015-01-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.594 Å) | | Cite: | Structural basis for preferential avian receptor binding by the human-infecting H10N8 avian influenza virus
Nat Commun, 6, 2015
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4TQK
 | | Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection | | Descriptor: | 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 (2.1 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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4TQJ
 | | Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection | | Descriptor: | 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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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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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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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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4FZX
 | | Exonuclease X in complex with 3' overhanging duplex DNA | | Descriptor: | DNA (5'-D(P*CP*GP*GP*AP*TP*CP*CP*AP*CP*AP*AP*TP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*TP*CP*AP*TP*TP*GP*TP*GP*GP*AP*TP*CP*CP*GP*AP*G)-3'), Exodeoxyribonuclease 10, ... | | Authors: | Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T. | | Deposit date: | 2012-07-08 | | Release date: | 2013-07-03 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
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8W5A
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8W59
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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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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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6LRS
 | | Cryo-EM structure of RbcL8-RbcS4 from Anabaena sp. PCC 7120 | | Descriptor: | Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain | | Authors: | Xia, L.Y, Jiang, Y.L, Kong, W.W, Sun, H, Li, W.F, Chen, Y, Zhou, C.Z. | | Deposit date: | 2020-01-16 | | Release date: | 2020-07-15 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Molecular basis for the assembly of RuBisCO assisted by the chaperone Raf1.
Nat.Plants, 6, 2020
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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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