5C8Y
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![BU of 5c8y by Molmil](/molmil-images/mine/5c8y) | Crystal structure of T2R-TTL-Plinabulin complex | Descriptor: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | Deposit date: | 2015-06-26 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.594 Å) | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery. Febs J., 283, 2016
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5CA0
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![BU of 5ca0 by Molmil](/molmil-images/mine/5ca0) | Crystal structure of T2R-TTL-Lexibulin complex | Descriptor: | 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | Deposit date: | 2015-06-29 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery. Febs J., 283, 2016
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4JV5
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![BU of 4jv5 by Molmil](/molmil-images/mine/4jv5) | Crystal structures of pseudouridinilated stop codons with ASLs | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein 20, 30S ribosomal protein S10, ... | Authors: | Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V. | Deposit date: | 2013-03-25 | Release date: | 2013-06-26 | Last modified: | 2013-08-21 | Method: | X-RAY DIFFRACTION (3.162 Å) | Cite: | Unusual base pairing during the decoding of a stop codon by the ribosome. Nature, 500, 2013
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4HBQ
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![BU of 4hbq by Molmil](/molmil-images/mine/4hbq) | Crystal structure of a loop deleted mutant of Human MAdCAM-1 D1D2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Mucosal addressin cell adhesion molecule 1, ... | Authors: | Springer, T, Yu, Y, Zhu, J. | Deposit date: | 2012-09-28 | Release date: | 2013-01-23 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Different Fold with an Integrin-Binding Loop Specialized for Flexibility in Mucosal Addressin Cell Adhesion Molecule-1 TO BE PUBLISHED
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4HC1
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![BU of 4hc1 by Molmil](/molmil-images/mine/4hc1) | |
4HCR
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![BU of 4hcr by Molmil](/molmil-images/mine/4hcr) | |
4HD9
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![BU of 4hd9 by Molmil](/molmil-images/mine/4hd9) | Crystal structure of native human MAdCAM-1 D1D2 domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Mucosal addressin cell adhesion molecule 1 | Authors: | Springer, T, Yu, Y, Zhu, J. | Deposit date: | 2012-10-02 | Release date: | 2013-01-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Different Fold with an Integrin-Binding Loop Specialized for Flexibility in Mucosal Addressin Cell Adhesion Molecule-1 TO BE PUBLISHED
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5ZNJ
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![BU of 5znj by Molmil](/molmil-images/mine/5znj) | Crystal structure of a bacterial ProRS with ligands | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Cheng, B, Yu, Y, Zhou, H. | Deposit date: | 2018-04-09 | Release date: | 2019-05-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase. J.Med.Chem., 65, 2022
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5ZNK
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![BU of 5znk by Molmil](/molmil-images/mine/5znk) | Crystal structure of a bacterial ProRS with ligands | Descriptor: | 7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Cheng, B, Yu, Y, Zhou, H. | Deposit date: | 2018-04-09 | Release date: | 2019-05-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase. J.Med.Chem., 65, 2022
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5CB4
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![BU of 5cb4 by Molmil](/molmil-images/mine/5cb4) | Crystal structure of T2R-TTL-Tivantinib complex | Descriptor: | (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | Deposit date: | 2015-06-30 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.193 Å) | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery. Febs J., 283, 2016
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5EZY
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![BU of 5ezy by Molmil](/molmil-images/mine/5ezy) | Crystal structure of T2R-TTL-taccalonolide AJ complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | Deposit date: | 2015-11-27 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Mechanism of microtubule stabilization by taccalonolide AJ Nat Commun, 8, 2017
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3QX3
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![BU of 3qx3 by Molmil](/molmil-images/mine/3qx3) | Human topoisomerase IIbeta in complex with DNA and etoposide | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), ... | Authors: | Wu, C.C, Li, T.K, Farh, L, Lin, L.Y, Lin, T.S, Yu, Y.J, Yen, T.J, Chiang, C.W, Chan, N.L. | Deposit date: | 2011-03-01 | Release date: | 2011-07-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.162 Å) | Cite: | Structural basis of type II topoisomerase inhibition by the anticancer drug etoposide Science, 333, 2011
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4K0K
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![BU of 4k0k by Molmil](/molmil-images/mine/4k0k) | Crystal structure of the Thermus thermophilus 30S ribosomal subunit complexed with a serine-ASL and mRNA containing a stop codon | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V. | Deposit date: | 2013-04-04 | Release date: | 2013-06-26 | Last modified: | 2013-08-21 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Unusual base pairing during the decoding of a stop codon by the ribosome. Nature, 500, 2013
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7KQY
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![BU of 7kqy by Molmil](/molmil-images/mine/7kqy) | Crystal Structure and Characterization of Human Heavy-Chain only Antibodies reveals a novel, stable dimeric structure similar to Monoclonal Antibodies | Descriptor: | Heavy-Chain only Human Antibodies | Authors: | Bahmanjah, S, Mieczkowski, C, Yu, Y, Baker, J, Raghunathan, G, Tomazela, D, Hsieh, M, Mccoy, M, Strickland, C, Fayadat-Dilman, L. | Deposit date: | 2020-11-18 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.913 Å) | Cite: | Crystal Structure and Characterization of Human Heavy-Chain Only Antibodies Reveals a Novel, Stable Dimeric Structure Similar to Monoclonal Antibodies. Antibodies, 9, 2020
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6IJI
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![BU of 6iji by Molmil](/molmil-images/mine/6iji) | Crystal structure of PDE10 in complex with inhibitor 2b | Descriptor: | 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | Deposit date: | 2018-10-10 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors. J. Med. Chem., 62, 2019
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6IJH
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![BU of 6ijh by Molmil](/molmil-images/mine/6ijh) | Crystal structure of PDE10 in complex with inhibitor AF-399/14387019 | Descriptor: | 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | Deposit date: | 2018-10-10 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors. J. Med. Chem., 62, 2019
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7YIV
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![BU of 7yiv by Molmil](/molmil-images/mine/7yiv) | The Crystal Structure of Human Tissue Nonspecific Alkaline Phosphatase (ALPL) at Basic pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, ... | Authors: | Cao, Y, Qin, A, Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y. | Deposit date: | 2022-07-18 | Release date: | 2023-07-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase. Nat Commun, 14, 2023
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6KO0
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![BU of 6ko0 by Molmil](/molmil-images/mine/6ko0) | The crystal structue of PDE10A complexed with 1i | Descriptor: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.600029 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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6KO1
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![BU of 6ko1 by Molmil](/molmil-images/mine/6ko1) | The crystal structue of PDE10A complexed with 2d | Descriptor: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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2F07
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![BU of 2f07 by Molmil](/molmil-images/mine/2f07) | |
8J4U
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![BU of 8j4u by Molmil](/molmil-images/mine/8j4u) | |
6JBM
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![BU of 6jbm by Molmil](/molmil-images/mine/6jbm) | Crystal structure of the TRIM14 PRYSPRY domain | Descriptor: | SULFATE ION, Tripartite motif-containing protein 14 | Authors: | Yin, Y.X, Yu, Y, Liang, L. | Deposit date: | 2019-01-26 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The TRIM14 PRYSPRY domain mediates protein interaction via its basic interface. Febs Lett., 593, 2019
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5YT7
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![BU of 5yt7 by Molmil](/molmil-images/mine/5yt7) | |
6KNZ
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![BU of 6knz by Molmil](/molmil-images/mine/6knz) | Crystal structure of T2R-TTL-KXO1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide, CALCIUM ION, ... | Authors: | Chen, Q, Yu, Y. | Deposit date: | 2019-08-07 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.475 Å) | Cite: | Reversible binding of the anticancer drug KXO1 (tirbanibulin) to the colchicine-binding site of beta-tubulin explains KXO1's low clinical toxicity. J.Biol.Chem., 294, 2019
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7CE8
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![BU of 7ce8 by Molmil](/molmil-images/mine/7ce8) | Crystal structure of T2R-TTL-Compound11 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-06-22 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.725 Å) | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
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