4LG9
 
 | | Crystal structure of TBL1XR1 WD40 repeats | | Descriptor: | F-box-like/WD repeat-containing protein TBL1XR1, UNKNOWN ATOM OR ION | | Authors: | Xu, C, Tempel, W, He, H, Wu, X, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-27 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structure of TBL1XR1 WD40 repeats
TO BE PUBLISHED
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4LLD
 | | Structure of wild-type IgG1 antibody heavy chain constant domain 1 and light chain lambda constant domain (IgG1 CH1:Clambda) at 1.19A | | Descriptor: | Ig gamma-1 chain C region, Ig lambda-2 chain C region | | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
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4LLY
 | | Crystal structure of Pertuzumab Clambda Fab with variable and constant domain redesigns (VRD2 and CRD2) at 1.6A | | Descriptor: | GLYCEROL, MAGNESIUM ION, light chain Clambda, ... | | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
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4LLQ
 | | Structure of redesigned IgG1 first constant and lambda domains (CH1:Clambda constant redesign 2 beta, CRD2b) at 1.42A | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, mutated CH1, mutated light chain Clambda | | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
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4LLU
 | | Structure of Pertuzumab Fab with light chain Clambda at 2.16A | | Descriptor: | ACETATE ION, Light chain CLAMBDA, PERTUZUMAB FAB Heavy chain, ... | | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
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4LLM
 | | Structure of redesigned IgG1 first constant and lambda domains (CH1:Clambda constant redesign 1, CRD1) at 1.75A | | Descriptor: | Ig gamma-1 chain C region, Ig lambda-2 chain C region | | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
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7EPT
 | | Structural basis for the tethered peptide activation of adhesion GPCRs | | Descriptor: | Adhesion G-protein coupled receptor D1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Ping, Y.-Q, Xiao, P, Yang, F, Zhao, R.-J, Guo, S.-C, Yan, X, Wu, X, Liebscher, I, Xu, H.E, Sun, J.-P. | | Deposit date: | 2021-04-27 | | Release date: | 2022-05-11 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for the tethered peptide activation of adhesion GPCRs.
Nature, 604, 2022
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3QA8
 | | Crystal Structure of inhibitor of kappa B kinase beta | | Descriptor: | MGC80376 protein | | Authors: | Xu, G, Lo, Y.C, Li, Q, Napolitano, G, Wu, X, Jiang, X, Dreano, M, Karin, M, Wu, H. | | Deposit date: | 2011-01-10 | | Release date: | 2011-04-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystal structure of inhibitor of kappa B kinase beta.
Nature, 472, 2011
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3RZF
 | | Crystal Structure of Inhibitor of kappaB kinase beta (I4122) | | Descriptor: | (4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone, MGC80376 protein | | Authors: | Xu, G, Lo, Y.C, Li, Q, Napolitano, G, Wu, X, Jiang, X, Dreano, M, Karin, M, Wu, H. | | Deposit date: | 2011-05-11 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystal structure of inhibitor of KappaB kinase Beta.
Nature, 472, 2011
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6LK0
 | | Crystal structure of human wild type TRIP13 | | Descriptor: | Pachytene checkpoint protein 2 homolog | | Authors: | Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J. | | Deposit date: | 2019-12-17 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression.
Cancer Res., 80, 2020
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5XF1
 | | Structure of the Full-length glucagon class B G protein-coupled 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | | Deposit date: | 2017-04-06 | | Release date: | 2017-05-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
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2XYE
 | | HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents | | Descriptor: | METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-PHENYLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, PROTEASE | | Authors: | Ohrngren, P, Wu, X, Persson, M, Ekegren, J.K, Wallberg, H, Rosenquist, A, Samuelsson, B, Unge, T, Larhed, M. | | Deposit date: | 2010-11-17 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents
Med.Chem.Commun., 2, 2011
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2XYF
 | | HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents | | Descriptor: | METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-THIOPHEN-3-YLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, PROTEASE | | Authors: | Ohrngren, P, Wu, X, Persson, M, Ekegren, J.K, Wallberg, H, Rosenquist, A, Samuelsson, B, Unge, T, Larhed, M. | | Deposit date: | 2010-11-17 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents
Med.Chem.Commun., 2, 2011
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7F7F
 | | Cryo-EM structure of Dnf1 from Saccharomyces cerevisiae in yeast lipids with beryllium fluoride (resting state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, ... | | Authors: | Xu, J, He, Y, Wu, X, Li, L. | | Deposit date: | 2021-06-29 | | Release date: | 2022-03-23 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Conformational changes of a phosphatidylcholine flippase in lipid membranes.
Cell Rep, 38, 2022
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6LO8
 | | Cryo-EM structure of the TIM22 complex from yeast | | Descriptor: | Mitochondrial import inner membrane translocase subunit TIM10, Mitochondrial import inner membrane translocase subunit TIM12, Mitochondrial import inner membrane translocase subunit TIM18, ... | | Authors: | Zhang, Y, Zhou, X, Wu, X, Li, L. | | Deposit date: | 2020-01-04 | | Release date: | 2020-09-30 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.83 Å) | | Cite: | Structure of the mitochondrial TIM22 complex from yeast.
Cell Res., 31, 2021
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4ZUZ
 | | SidC 1-871 | | Descriptor: | SidC | | Authors: | Luo, X, Wasilko, D.J, Liu, Y, Sun, J, Wu, X, Luo, Z.-Q, Mao, Y. | | Deposit date: | 2015-05-18 | | Release date: | 2015-07-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structure of the Legionella Virulence Factor, SidC Reveals a Unique PI(4)P-Specific Binding Domain Essential for Its Targeting to the Bacterial Phagosome.
Plos Pathog., 11, 2015
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6PLM
 | | Legionella pneumophila SidJ/ Calmodulin 2 complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-2, ... | | Authors: | Mao, Y, Sulpizio, A, Minelli, M.E, Wu, X. | | Deposit date: | 2019-07-01 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.592 Å) | | Cite: | Protein polyglutamylation catalyzed by the bacterial calmodulin-dependent pseudokinase SidJ.
Elife, 8, 2019
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8WY7
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22 | | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4 | | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | Deposit date: | 2023-10-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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8WY3
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21 | | Descriptor: | Bromodomain-containing protein 4, ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide | | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | Deposit date: | 2023-10-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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8WYG
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22 | | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2 | | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | Deposit date: | 2023-10-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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8WXY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23 | | Descriptor: | 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | Deposit date: | 2023-10-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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4E12
 | | Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | | Descriptor: | Diketoreductase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | | Deposit date: | 2012-03-05 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
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1ZW5
 | | X-ray structure of Farnesyl diphosphate synthase protein | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, ZOLEDRONIC ACID, ... | | Authors: | Kavanagh, K.L, Guo, K, Wu, X, von Delft, F, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-03 | | Release date: | 2005-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
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4DYD
 | | Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | | Descriptor: | Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | | Deposit date: | 2012-02-28 | | Release date: | 2012-11-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
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1ZX1
 | | Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954 | | Descriptor: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, NRH dehydrogenase [quinone] 2, ... | | Authors: | Jansson, A, Wu, X, Kavanagh, K, Kerr, D, Knox, R, Walton, R, Gunther, U, Ludwig, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-06 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954
To be Published
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