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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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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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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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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5Y6K
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![BU of 5y6k by Molmil](/molmil-images/mine/5y6k) | Human serum trnasferrin bound to a fluorescent probe | Descriptor: | (2S)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid, FE (III) ION, MALONATE ION, ... | Authors: | Jiang, N, Cheng, T, Wang, M, Chan, G.C.F, Jin, L, Li, H, Sun, H. | Deposit date: | 2017-08-12 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Tracking iron-associated proteomes in pathogens by a fluorescence approach. Metallomics, 10, 2018
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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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5X5S
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![BU of 5x5s by Molmil](/molmil-images/mine/5x5s) | |
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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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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4O0I
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![BU of 4o0i by Molmil](/molmil-images/mine/4o0i) | Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with 2'-MeSe-arabino-guanosine derivatized DNA | Descriptor: | 5'-D(*C*(1TW)P*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', DNA polymerase I, GLYCEROL, ... | Authors: | Jiang, S, Gan, J, Sun, H, Huang, Z. | Deposit date: | 2013-12-13 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with 2'-MeSe-arabino-guanosine derivatized DNA TO BE PUBLISHED
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4QY0
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![BU of 4qy0 by Molmil](/molmil-images/mine/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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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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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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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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3S49
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![BU of 3s49 by Molmil](/molmil-images/mine/3s49) | RNA crystal structure with 2-Se-uridine modification | Descriptor: | POTASSIUM ION, RNA (5'-R(*GP*UP*AP*UP*AP*(RUS)P*AP*C)-3') | Authors: | Sheng, J, Gan, J, Sun, H, Hassan, A.E.H, Jiang, S, Huang, Z. | Deposit date: | 2011-05-19 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Higher Specificity of RNA Base Pairing with 2-Selenouridine To be Published
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5Z49
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![BU of 5z49 by Molmil](/molmil-images/mine/5z49) | Crystal structure of the effector-binding domain of Synechococcus elongatus CmpR in complex with ribulose-1,5-bisphosphate | Descriptor: | HTH-type transcriptional activator CmpR, RIBULOSE-1,5-DIPHOSPHATE | Authors: | Jiang, Y.L, Mahounga, D.M, Sun, H. | Deposit date: | 2018-01-10 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.148 Å) | Cite: | Crystal structure of the effector-binding domain of Synechococcus elongatus CmpR in complex with ribulose 1,5-bisphosphate. Acta Crystallogr F Struct Biol Commun, 74, 2018
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4FZX
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![BU of 4fzx by Molmil](/molmil-images/mine/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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6LHE
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![BU of 6lhe by Molmil](/molmil-images/mine/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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4FZZ
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![BU of 4fzz by Molmil](/molmil-images/mine/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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4FZY
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![BU of 4fzy by Molmil](/molmil-images/mine/4fzy) | Exonuclease X in complex with 12bp blunt-ended dsDNA | Descriptor: | DNA (5'-D(*TP*GP*TP*AP*GP*AP*TP*TP*CP*GP*AP*G)-3'), DNA (5'-D(P*CP*TP*CP*GP*AP*AP*TP*CP*TP*AP*CP*A)-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: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 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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6LI6
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![BU of 6li6 by Molmil](/molmil-images/mine/6li6) | Crystal structure of MCR-1-S treated by Au(PEt3)Cl | Descriptor: | GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1, TRIETHYLPHOSPHANE | 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 (1.68 Å) | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin. Nat Commun, 11, 2020
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6LI4
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![BU of 6li4 by Molmil](/molmil-images/mine/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
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![BU of 6li5 by Molmil](/molmil-images/mine/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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