5Y2F
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![BU of 5y2f by Molmil](/molmil-images/mine/5y2f) | Human SIRT6 in complex with allosteric activator MDL-801 | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhang, J, Huang, Z, Song, K. | Deposit date: | 2017-07-25 | Release date: | 2018-11-07 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification of a cellularly active SIRT6 allosteric activator. Nat. Chem. Biol., 14, 2018
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7Y4F
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![BU of 7y4f by Molmil](/molmil-images/mine/7y4f) | bacterial DPP4 | Descriptor: | Dipeptidyl peptidase IV | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-06-14 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.918 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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7Y4G
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![BU of 7y4g by Molmil](/molmil-images/mine/7y4g) | sit-bound btDPP4 | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4 | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-06-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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4Z62
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![BU of 4z62 by Molmil](/molmil-images/mine/4z62) | The plant peptide hormone free receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine receptor 1 | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
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4Z5W
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![BU of 4z5w by Molmil](/molmil-images/mine/4z5w) | The plant peptide hormone 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, Phytosulfokine, ... | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
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4Z61
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![BU of 4z61 by Molmil](/molmil-images/mine/4z61) | The plant peptide hormone receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PTR-ILE-PTR-THR-GLN, Phytosulfokine receptor 1, ... | Authors: | Chai, J, Wang, J. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
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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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7XJF
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![BU of 7xjf by Molmil](/molmil-images/mine/7xjf) | Crystal structure of 6MW3211 Fab in complex with CD47 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M, Wang, M. | Deposit date: | 2022-04-16 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Blockade of dual immune checkpoint inhibitory signals with a CD47/PD-L1 bispecific antibody for cancer treatment. Theranostics, 13, 2023
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6M1H
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![BU of 6m1h by Molmil](/molmil-images/mine/6m1h) | CryoEM structure of human PAC1 receptor in complex with maxadilan | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y. | Deposit date: | 2020-02-26 | Release date: | 2020-03-11 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism. Cell Res., 30, 2020
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6M1I
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![BU of 6m1i by Molmil](/molmil-images/mine/6m1i) | CryoEM structure of human PAC1 receptor in complex with PACAP38 | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y. | Deposit date: | 2020-02-26 | Release date: | 2020-03-11 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism. Cell Res., 30, 2020
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7SFR
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![BU of 7sfr by Molmil](/molmil-images/mine/7sfr) | Unmethylated Mtb Ribosome 50S with SEQ-9 | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Xing, Z, Cui, Z, Zhang, J, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2021-10-04 | Release date: | 2022-10-12 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents. Cell, 186, 2023
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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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6OD5
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![BU of 6od5 by Molmil](/molmil-images/mine/6od5) | Human TCF4 C-terminal bHLH domain in Complex with 12-bp Oligonucleotide Containing E-box Sequence with 5-carboxylcytosines | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*AP*(1CC)P*GP*CP*AP*CP*GP*TP*GP*(1CC)P*G)-3'), ... | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2019-03-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine. Nucleic Acids Res., 47, 2019
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6OD3
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![BU of 6od3 by Molmil](/molmil-images/mine/6od3) | Human TCF4 C-terminal bHLH domain in Complex with 13-bp Oligonucleotide Containing E-box Sequence | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*AP*CP*AP*CP*GP*TP*GP*TP*AP*T)-3'), ... | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2019-03-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.494 Å) | Cite: | Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine. Nucleic Acids Res., 47, 2019
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6OD4
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![BU of 6od4 by Molmil](/molmil-images/mine/6od4) | Human TCF4 C-terminal bHLH domain in Complex with 11-bp Oligonucleotide Containing E-box Sequence | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*CP*GP*TP*GP*TP*A)-3'), Transcription factor 4 | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2019-03-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine. Nucleic Acids Res., 47, 2019
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8JA8
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![BU of 8ja8 by Molmil](/molmil-images/mine/8ja8) | |
8JAC
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![BU of 8jac by Molmil](/molmil-images/mine/8jac) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-16 | Descriptor: | N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide, SULFATE ION, Trehalose-binding lipoprotein LpqY, ... | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JA7
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![BU of 8ja7 by Molmil](/molmil-images/mine/8ja7) | Cryo-EM structure of Mycobacterium tuberculosis LpqY-SugABC in complex with trehalose | Descriptor: | Trehalose import ATP-binding protein SugC, Trehalose transport system permease protein SugA, Trehalose transport system permease protein SugB, ... | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAB
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![BU of 8jab by Molmil](/molmil-images/mine/8jab) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-06 | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol, SULFATE ION, Trehalose-binding lipoprotein LpqY | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAD
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![BU of 8jad by Molmil](/molmil-images/mine/8jad) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-17 | Descriptor: | BENZOIC ACID, SULFATE ION, Trehalose-binding lipoprotein LpqY, ... | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JA9
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![BU of 8ja9 by Molmil](/molmil-images/mine/8ja9) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-03 | Descriptor: | SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-10-04 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAA
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![BU of 8jaa by Molmil](/molmil-images/mine/8jaa) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04 | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol, SULFATE ION, Trehalose-binding lipoprotein LpqY | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-10-04 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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3TAX
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![BU of 3tax by Molmil](/molmil-images/mine/3tax) | A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase | Descriptor: | Casein kinase II subunit alpha, FORMYL GROUP, SULFATE ION, ... | Authors: | Lazarus, M.B, Jiang, J, Pasquina, L, Sliz, P, Walker, S. | Deposit date: | 2011-08-04 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A neutral diphosphate mimic crosslinks the active site of human O-GlcNAc transferase. Nat.Chem.Biol., 8, 2011
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8HAY
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![BU of 8hay by Molmil](/molmil-images/mine/8hay) | d4-bound btDPP4 | Descriptor: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4 | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-10-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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5X5M
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![BU of 5x5m by Molmil](/molmil-images/mine/5x5m) | |