6AGK
 
 | | The structure of CH-II-77-tubulin complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, H, Arnst, K, Wang, Y, Miller, D, Li, W. | | Deposit date: | 2018-08-13 | | Release date: | 2019-08-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
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4J1G
 | | Leanyer orthobunyavirus nucleoprotein-ssRNA complex | | Descriptor: | Nucleocapsid, RNA (45-MER) | | Authors: | Niu, F, Shaw, N, Wang, Y, Jiao, L, Ding, W, Li, X, Zhu, P, Upur, H, Ouyang, S, Cheng, G, Liu, Z.J. | | Deposit date: | 2013-02-01 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.789 Å) | | Cite: | Structure of the Leanyer orthobunyavirus nucleoprotein-RNA complex reveals unique architecture for RNA encapsidation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6BS2
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b | | Descriptor: | 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-12-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
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6BR1
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-11-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
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6BRF
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-11-30 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
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7YDX
 | | Crystal structure of human RIPK1 kinase domain in complex with compound RI-962 | | Descriptor: | 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S. | | Deposit date: | 2022-07-04 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.642 Å) | | Cite: | Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Nat Commun, 13, 2022
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6BRY
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a | | Descriptor: | 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-12-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
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5WQP
 | | Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II) | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, PHOSPHATE ION, ... | | Authors: | Li, S, Wang, Y, Bartlam, M. | | Deposit date: | 2016-11-27 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
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2KLK
 | | Solution structure of GB1 A34F mutant with RDC and SAXS | | Descriptor: | IMMUNOGLOBULIN G-BINDING PROTEIN G | | Authors: | Wang, J, Zuo, X, Yu, P, Byeon, I.L, Jung, J, Schwieters, C.D, Gronenborn, A.M, Wang, Y. | | Deposit date: | 2009-07-06 | | Release date: | 2009-10-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | Determination of multicomponent protein structures in solution using global orientation and shape restraints.
J.Am.Chem.Soc., 131, 2009
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8JIN
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3V6Y
 | | crystal structure of FBF-2 in complex with a mutant gld-1 FBEa13 RNA | | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*AP*CP*UP*GP*UP*GP*CP*CP*AP*UP*AP*C)-3') | | Authors: | Qiu, C, Kershner, A, Wang, Y, Holley, C.H, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
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6LW4
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7Y5X
 | | CryoEM structure of PS2-containing gamma-secretase treated with MRK-560 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2022-06-17 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
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7Y5T
 | | CryoEM structure of PS1-containing gamma-secretase in complex with MRK-560 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2022-06-17 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
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7Y5Z
 | | CryoEM structure of human PS2-containing gamma-secretase | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2022-06-18 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
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7XZ4
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3V71
 | | Crystal structure of PUF-6 in complex with 5BE13 RNA | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Puf (Pumilio/fbf) domain-containing protein 7, confirmed by transcript evidence, ... | | Authors: | Qiu, C, Kershner, A, Wang, Y, Holley, C.H, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
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6KH1
 | | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Whang, H, Zhao, G. | | Deposit date: | 2019-07-12 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
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6LP2
 | | Structure of Lpg2148/UBE2N-Ub complex | | Descriptor: | Ubiquitin, Ubiquitin-conjugating enzyme E2 N, Uncharacterized protein lpg2148 | | Authors: | Feng, Y, Wang, Y, Huang, Y, Li, D. | | Deposit date: | 2020-01-08 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.479 Å) | | Cite: | Structure of Lpg2148/UBE2N-Ub complex
To Be Published
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7CE2
 | | The Crystal structure of TeNT Hc complexed with neutralizing antibody | | Descriptor: | Tetanus toxin, neutralizing antibody heavy chain, neutralizing antibody light chain | | Authors: | Wang, X, Wang, Y, Wu, C, Yu, J, Liao, H. | | Deposit date: | 2020-06-21 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural basis of tetanus toxin neutralization by native human monoclonal antibodies.
Cell Rep, 35, 2021
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7V3L
 | | MERS S ectodomain trimer in complex with neutralizing antibody 6516 | | Descriptor: | Spike glycoprotein, antibody H, antibody L | | Authors: | Wang, X, Zhao, J, Wang, Z, Wang, Y, Zeng, J. | | Deposit date: | 2021-08-10 | | Release date: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | MERS S ectodomain trimer in complex with neutralizing antibody 6516
to be published
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8FXT
 | | Escherichia coli periplasmic Glucose-Binding Protein glucose complex: Acrylodan conjugate attached at W183C | | Descriptor: | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one, CALCIUM ION, D-galactose/methyl-galactoside binding periplasmic protein MglB, ... | | Authors: | Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W. | | Deposit date: | 2023-01-25 | | Release date: | 2023-08-30 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Commun Chem, 6, 2023
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8TG1
 | | Caldicellulosiruptor saccharolyticus periplasmic urea-binding protein | | Descriptor: | BROMIDE ION, Extracellular ligand-binding receptor, UREA | | Authors: | Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Structure-based functional analysis reveals multiple roles and widespread use of urea-binding proteins in nitrogen metabolism
To Be Published
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8G83
 | | Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain | | Descriptor: | NAD(+) hydrolase AbTIR | | Authors: | Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A. | | Deposit date: | 2023-02-17 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations.
J.Biol.Chem., 299, 2023
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8FDU
 | | Engineered human dynein motor domain in the microtubule-unbound state with LIS1 complex in the buffer containing ATP-Vi (local refined on AAA3-AAA5 and LIS1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1,Serine--tRNA ligase, Platelet-activating factor acetylhydrolase IB subunit beta,Platelet-activating factor acetylhydrolase IB subunit beta,human LIS1 protein with a SNAP tag | | Authors: | Ton, W, Wang, Y, Chai, P. | | Deposit date: | 2022-12-04 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Microtubule-binding-induced allostery triggers LIS1 dissociation from dynein prior to cargo transport.
Nat.Struct.Mol.Biol., 30, 2023
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