5E86
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![BU of 5e86 by Molmil](/molmil-images/mine/5e86) | isolated SBD of BiP with loop34 modification | Descriptor: | 78 kDa glucose-regulated protein | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | Deposit date: | 2015-10-13 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.681 Å) | Cite: | Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP. Structure, 23, 2015
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5E84
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![BU of 5e84 by Molmil](/molmil-images/mine/5e84) | ATP-bound state of BiP | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | Deposit date: | 2015-10-13 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP. Structure, 23, 2015
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3G6M
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![BU of 3g6m by Molmil](/molmil-images/mine/3g6m) | crystal structure of a chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with a potent inhibitor caffeine | Descriptor: | CAFFEINE, Chitinase | Authors: | Gan, Z, Yang, J, Lou, Z, Rao, Z, Zhang, K.-Q. | Deposit date: | 2009-02-06 | Release date: | 2010-02-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure and mutagenesis analysis of chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with the inhibitor caffeine Microbiology, 156, 2010
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7N1R
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![BU of 7n1r by Molmil](/molmil-images/mine/7n1r) | A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ... | Authors: | Yang, J, Musayev, F, Liu, Q. | Deposit date: | 2021-05-28 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP). Protein Sci., 31, 2022
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6KDV
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![BU of 6kdv by Molmil](/molmil-images/mine/6kdv) | Crystal structure of TtCas1-DNA complex | Descriptor: | CRISPR-associated endonuclease Cas1 2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*GP*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*CP*CP*AP*GP*CP*AP*TP*CP*GP*AP*CP*TP*C)-3') | Authors: | Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y. | Deposit date: | 2019-07-02 | Release date: | 2019-12-18 | Last modified: | 2020-05-06 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Crystal structure of Cas1 in complex with branched DNA. Sci China Life Sci, 63, 2020
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6KE1
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![BU of 6ke1 by Molmil](/molmil-images/mine/6ke1) | Crystal structure of TtCas1 | Descriptor: | CRISPR-associated endonuclease Cas1 2 | Authors: | Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y. | Deposit date: | 2019-07-03 | Release date: | 2019-12-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.39 Å) | Cite: | Crystal structure of Cas1 in complex with branched DNA. Sci China Life Sci, 63, 2020
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6BZ9
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![BU of 6bz9 by Molmil](/molmil-images/mine/6bz9) | Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK | Descriptor: | Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER | Authors: | Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R. | Deposit date: | 2017-12-22 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8IL3
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![BU of 8il3 by Molmil](/molmil-images/mine/8il3) | Cryo-EM structure of CD38 in complex with FTL004 | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain | Authors: | Yang, J, Wang, Y, Zhang, G. | Deposit date: | 2023-03-01 | Release date: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma. J Hematol Oncol, 15, 2022
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8WD0
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![BU of 8wd0 by Molmil](/molmil-images/mine/8wd0) | Crystal structure of T2R-TTL-Erianin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, CALCIUM ION, ... | Authors: | Yang, J. | Deposit date: | 2023-09-14 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The cytotoxic natural compound erianin binds to colchicine site of beta-tubulin and overcomes taxane resistance Bioorg.Chem., 150, 2024
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8JDI
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![BU of 8jdi by Molmil](/molmil-images/mine/8jdi) | |
8JDH
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![BU of 8jdh by Molmil](/molmil-images/mine/8jdh) | |
6ASY
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![BU of 6asy by Molmil](/molmil-images/mine/6asy) | BiP-ATP2 | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L. | Deposit date: | 2017-08-26 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s. Nat Commun, 8, 2017
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8JJC
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![BU of 8jjc by Molmil](/molmil-images/mine/8jjc) | Tubulin-Y62 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ... | Authors: | Yang, J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
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8JJB
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![BU of 8jjb by Molmil](/molmil-images/mine/8jjb) | Crystal structure of T2R-TTL-Y61 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yang, J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
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6MG1
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![BU of 6mg1 by Molmil](/molmil-images/mine/6mg1) | C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ... | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2018-09-12 | Release date: | 2018-12-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for effects of CpA modifications on C/EBP beta binding of DNA. Nucleic Acids Res., 47, 2019
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6MG3
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![BU of 6mg3 by Molmil](/molmil-images/mine/6mg3) | V285A Mutant of the C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence | Descriptor: | 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2018-09-12 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for effects of CpA modifications on C/EBP beta binding of DNA. Nucleic Acids Res., 47, 2019
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6MG2
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![BU of 6mg2 by Molmil](/molmil-images/mine/6mg2) | C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2221 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2018-09-12 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.928 Å) | Cite: | Structural basis for effects of CpA modifications on C/EBP beta binding of DNA. Nucleic Acids Res., 47, 2019
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7WWF
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![BU of 7wwf by Molmil](/molmil-images/mine/7wwf) | Crystal structure of BioH3 from Mycolicibacterium smegmatis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Esterase | Authors: | Yang, J, Xu, Y.C, Gan, J.H, Feng, Y.J. | Deposit date: | 2022-02-12 | Release date: | 2022-07-06 | Last modified: | 2023-01-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Three enigmatic BioH isoenzymes are programmed in the early stage of mycobacterial biotin synthesis, an attractive anti-TB drug target. Plos Pathog., 18, 2022
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6P3Q
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![BU of 6p3q by Molmil](/molmil-images/mine/6p3q) | Calpain-5 (CAPN5) Protease Core (PC) | Descriptor: | Calpain-5 | Authors: | Velez, G, Sun, Y.J, Khan, S, Yang, J, Koster, H.J, Lokesh, G, Mahajan, V. | Deposit date: | 2019-05-24 | Release date: | 2020-02-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights into the Unique Activation Mechanisms of a Non-classical Calpain and Its Disease-Causing Variants. Cell Rep, 30, 2020
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4DFY
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![BU of 4dfy by Molmil](/molmil-images/mine/4dfy) | |
4UX5
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![BU of 4ux5 by Molmil](/molmil-images/mine/4ux5) | Structure of DNA complex of PCG2 | Descriptor: | 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1 | Authors: | Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y. | Deposit date: | 2014-08-19 | Release date: | 2015-01-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains. Nucleic Acids Res., 43, 2015
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5BPW
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![BU of 5bpw by Molmil](/molmil-images/mine/5bpw) | |
5BPZ
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![BU of 5bpz by Molmil](/molmil-images/mine/5bpz) | Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain | Descriptor: | 1,2-ETHANEDIOL, Anapc5 protein | Authors: | Cronin, N, Yang, J, Zhang, Z, Barford, D. | Deposit date: | 2015-05-28 | Release date: | 2015-09-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain. J.Mol.Biol., 427, 2015
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5XKG
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![BU of 5xkg by Molmil](/molmil-images/mine/5xkg) | Crystal structure of T2R-TTL-CH1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ... | Authors: | Wang, Y, Yang, J, Wang, T, Chen, L. | Deposit date: | 2017-05-07 | Release date: | 2018-04-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors To Be Published
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5XI5
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![BU of 5xi5 by Molmil](/molmil-images/mine/5xi5) | Crystal structure of T2R-TTL-PO5 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: | Chu, Y, Wang, Y, Yang, J, Li, W. | Deposit date: | 2017-04-26 | Release date: | 2017-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Synthesis, biological evaluation and X-ray structure of anti-microtubule agents To Be Published
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