1FBZ
 
 | | Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity | | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID | | Authors: | Shakespeare, W, Yang, M, Bohacek, R, Cerasoli, F, Stebbis, K, Sundaramoorthi, R, Vu, C, Pradeepan, S, Metcalf, C, Haraldson, C, Merry, T, Dalgarno, D, Narula, S, Hatada, M, Lu, X, Van Schravendijk, M.R, Adams, S, Violette, S, Smith, J, Guan, W, Bartlett, C, Herson, J, Iuliucci, J, Weigele, M, Sawyer, T. | | Deposit date: | 2000-07-17 | | Release date: | 2000-08-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity.
Proc.Natl.Acad.Sci.Usa, 97, 2000
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8GYD
 | | Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16 | | Descriptor: | (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme | | Authors: | Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X. | | Deposit date: | 2022-09-22 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023
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6H9J
 | | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (229-255) | | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | | Authors: | Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J. | | Deposit date: | 2018-08-04 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (229-255)
To Be Published
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6HC8
 | | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPA1 (313-339) | | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | | Authors: | Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J. | | Deposit date: | 2018-08-14 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPA1 (313-339)
To Be Published
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6HA6
 | | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246) | | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | | Authors: | Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246)
To Be Published
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6HL6
 | | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693) | | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | | Authors: | Leissing, T.M, Chowdhury, R, Clifton, I.J, Lu, X, Schofield, C.J. | | Deposit date: | 2018-09-10 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693)
To Be Published
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7XN2
 | | Crystal structure of CvkR, a novel MerR-type transcriptional regulator | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Alr3614 protein, DI(HYDROXYETHYL)ETHER | | Authors: | Liang, Y.J, Zhu, T, Ma, H.L, Lu, X.F, Hess, W.R. | | Deposit date: | 2022-04-27 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | CvkR is a MerR-type transcriptional repressor of class 2 type V-K CRISPR-associated transposase systems.
Nat Commun, 14, 2023
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5DO2
 | | Complex structure of MERS-RBD bound with 4C2 antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C2 heavy chain, 4C2 light chain, ... | | Authors: | Li, Y, Wan, Y, Liu, P, Zhao, J, Lu, G, Qi, J, Wang, Q, Lu, X, Wu, Y, Liu, W, Yuen, K.Y, Perlman, S, Gao, G.F, Yan, J. | | Deposit date: | 2015-09-10 | | Release date: | 2015-10-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.409 Å) | | Cite: | A humanized neutralizing antibody against MERS-CoV targeting the receptor-binding domain of the spike protein.
Cell Res., 25, 2015
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3DLP
 | | 4-Chlorobenzoyl-CoA Ligase/Synthetase, Mutant D402P, bound to 4CB | | Descriptor: | 4-CHLORO-BENZOIC ACID, 4-Chlorobenzoate CoA Ligase/Synthetase | | Authors: | Wu, R, Cao, J, Reger, A.S, Lu, X, Gulick, A.M, Dunaway-Mariano, D. | | Deposit date: | 2008-06-28 | | Release date: | 2009-04-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The mechanism of domain alternation in the acyl-adenylate forming ligase superfamily member 4-chlorobenzoate: coenzyme A ligase
Biochemistry, 48, 2009
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1BL4
 | | FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND | | Descriptor: | PROTEIN (FK506 BINDING PROTEIN), {3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID | | Authors: | Hatada, M.H, Clackson, T, Yang, W, Rozamus, L.W, Amara, J, Rollins, C.T, Stevenson, L.F, Magari, S.R, Wood, S.A, Courage, N.L, Lu, X, Cerasoli Junior, F, Gilman, M, Holt, D. | | Deposit date: | 1998-07-23 | | Release date: | 1998-09-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Redesigning an FKBP-ligand interface to generate chemical dimerizers with novel specificity.
Proc.Natl.Acad.Sci.USA, 95, 1998
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7LR4
 | | Complex of Fab 2/1.12 with domain 3 of P. berghei HAP2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, D3_2/1.12 Fab heavy chain, D3_2/1.12 Fab light chain, ... | | Authors: | Feng, J, Dong, X.C, Su, Y, Lu, X.F, Springer, T.A. | | Deposit date: | 2021-02-15 | | Release date: | 2021-12-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of malaria transmission blockade by a monoclonal antibody to gamete fusogen HAP2.
Elife, 10, 2021
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4RC6
 | | Crystal structure of cyanobacterial aldehyde-deformylating oxygenase 122F mutant | | Descriptor: | Aldehyde decarbonylase, FE (II) ION | | Authors: | Jia, C.J, Li, M, Li, J.J, Zhang, J.J, Zhang, H.M, Cao, P, Pan, X.W, Lu, X.F, Chang, W.R. | | Deposit date: | 2014-09-14 | | Release date: | 2014-12-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
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4Y25
 | | Bacterial polysaccharide outer membrane secretin | | Descriptor: | Poly-beta-1,6-N-acetyl-D-glucosamine export protein | | Authors: | Wang, Y, AndolePannuri, A, Ni, D, Zhou, H, Cao, X, Lu, X, Romeo, T, Huang, Y. | | Deposit date: | 2015-02-09 | | Release date: | 2016-03-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.821 Å) | | Cite: | Structural Basis for Translocation of a Biofilm-supporting Exopolysaccharide across the Bacterial Outer Membrane
J.Biol.Chem., 291, 2016
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8OZC
 | | cryoEM structure of SPARTA complex heterodimer apo | | Descriptor: | Piwi domain-containing protein, TIR domain-containing protein | | Authors: | Ekundayo, B, Ni, D.C, Lu, X.H, Stahlberg, H. | | Deposit date: | 2023-05-09 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Activation mechanism of a short argonaute-TIR prokaryotic immune system.
Sci Adv, 9, 2023
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8OZD
 | | cryoEM structure of SPARTA complex dimer-3 | | Descriptor: | DNA (16-MER), Piwi domain-containing protein, RNA (18-MER), ... | | Authors: | Ekundayo, B, Ni, D.C, Lu, X.H, Stahlberg, H. | | Deposit date: | 2023-05-09 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Activation mechanism of a short argonaute-TIR prokaryotic immune system.
Sci Adv, 9, 2023
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2LKB
 | | Evolutionary diversification of Mesobuthus alpha-scorpion toxins affecting sodium channels | | Descriptor: | Neurotoxin MeuNaTx-5 | | Authors: | Zhu, S, Peigneur, S, Gao, B, Lu, X, Cao, C, Tytgat, J. | | Deposit date: | 2011-10-09 | | Release date: | 2011-11-02 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Evolutionary diversification of Mesobuthus {alpha}-scorpion toxins affecting sodium channels
Mol.Cell Proteomics, 2011
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4K64
 | | Structure of an avian influenza H5 hemagglutinin from the influenza virus complexed with human receptor analog LSTc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | | Deposit date: | 2013-04-15 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
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1T5D
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4K67
 | | Structure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005 complexed with human receptor analog LSTc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ... | | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Gao, G.F. | | Deposit date: | 2013-04-15 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
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4K62
 | | Structure of an avian influenza H5 hemagglutinin from the influenza virus A/Indonesia/5/2005 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | | Deposit date: | 2013-04-15 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
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4K66
 | | Structure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005 complexed with avian receptor analog LSTa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | | Deposit date: | 2013-04-15 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
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4K63
 | | Structure of an avian influenza H5 hemagglutinin from the influenza virus complexed with avian receptor analog LSTa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | | Deposit date: | 2013-04-15 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
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4K65
 | | Structure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | | Deposit date: | 2013-04-15 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
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2VGE
 | | Crystal structure of the C-terminal region of human iASPP | | Descriptor: | RELA-ASSOCIATED INHIBITOR | | Authors: | Robinson, R.A, Lu, X, Jones, E.Y, Siebold, C. | | Deposit date: | 2007-11-12 | | Release date: | 2008-02-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biochemical and Structural Studies of Aspp Proteins Reveal Differential Binding to P53, P63 and P73
Structure, 16, 2008
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1T5H
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