6EXA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6exa by Molmil](/molmil-images/mine/6exa) | |
6EXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6exd by Molmil](/molmil-images/mine/6exd) | |
6EXB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6exb by Molmil](/molmil-images/mine/6exb) | |
6JDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jdv by Molmil](/molmil-images/mine/6jdv) | Crystal structure of Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in catalytic state | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, MAGNESIUM ION, ... | Authors: | Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y. | Deposit date: | 2019-02-02 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States. Mol.Cell, 76, 2019
|
|
6JE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6je3 by Molmil](/molmil-images/mine/6je3) | Crystal structure of Nme2Cas9 in complex with sgRNA and target DNA (AGGCCC PAM) with 5 nt overhang | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, non-target DNA strand, ... | Authors: | Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y. | Deposit date: | 2019-02-03 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.931 Å) | Cite: | Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States. Mol.Cell, 76, 2019
|
|
6EXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6exe by Molmil](/molmil-images/mine/6exe) | |
4F1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f1s by Molmil](/molmil-images/mine/4f1s) | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | Descriptor: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4YIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yir by Molmil](/molmil-images/mine/4yir) | Crystal structure of Rad4-Rad23 crosslinked to an undamaged DNA | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*G*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*GP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ... | Authors: | Min, J.-H, Chen, X, Kim, Y. | Deposit date: | 2015-03-02 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.0501 Å) | Cite: | Kinetic gating mechanism of DNA damage recognition by Rad4/XPC. Nat Commun, 6, 2015
|
|
2H4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h4z by Molmil](/molmil-images/mine/2h4z) | |
2H4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h4x by Molmil](/molmil-images/mine/2h4x) | |
7CMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cmz by Molmil](/molmil-images/mine/7cmz) | Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8 | Descriptor: | DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ... | Authors: | Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N. | Deposit date: | 2020-07-29 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.695 Å) | Cite: | PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability. Sci Adv, 7, 2021
|
|
3NEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3neg by Molmil](/molmil-images/mine/3neg) | Pyrabactin-bound PYL1 structure in the open and close forms | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1, BROMIDE ION | Authors: | Yan, N. | Deposit date: | 2010-06-08 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Functional mechanism of the ABA agonist pyrabactin J.Biol.Chem., 285, 2010
|
|
3NEF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nef by Molmil](/molmil-images/mine/3nef) | High-resolution pyrabactin-bound PYL1 structure | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1 | Authors: | Yan, N. | Deposit date: | 2010-06-08 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional mechanism of the ABA agonist pyrabactin J.Biol.Chem., 285, 2010
|
|
7EQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eql by Molmil](/molmil-images/mine/7eql) | Crystal structure of (+)-pulegone reductase from Mentha piperita | Descriptor: | (+)-pulegone reductase | Authors: | Lin, W. | Deposit date: | 2021-05-03 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Functional Characterization and Structural Insights Into Stereoselectivity of Pulegone Reductase in Menthol Biosynthesis. Front Plant Sci, 12, 2021
|
|
2HHJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hhj by Molmil](/molmil-images/mine/2hhj) | Human bisphosphoglycerate mutase complexed with 2,3-bisphosphoglycerate (15 days) | Descriptor: | (2R)-2,3-diphosphoglyceric acid, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase, ... | Authors: | Wang, Y, Gong, W. | Deposit date: | 2006-06-28 | Release date: | 2006-10-24 | Last modified: | 2016-07-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase. J.Biol.Chem., 281, 2006
|
|
2DHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dho by Molmil](/molmil-images/mine/2dho) | Crystal structure of human IPP isomerase I in space group P212121 | Descriptor: | CHLORIDE ION, Isopentenyl-diphosphate delta-isomerase 1, MANGANESE (II) ION, ... | Authors: | Zhang, C, Wei, Z, Gong, W. | Deposit date: | 2006-03-24 | Release date: | 2007-06-05 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of human IPP isomerase: new insights into the catalytic mechanism J.Mol.Biol., 366, 2007
|
|
2I6K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i6k by Molmil](/molmil-images/mine/2i6k) | Crystal structure of human type I IPP isomerase complexed with a substrate analog | Descriptor: | ACETIC ACID, AMINOETHANOLPYROPHOSPHATE, Isopentenyl-diphosphate delta-isomerase 1, ... | Authors: | Zhang, C, Wei, Z, Gong, W. | Deposit date: | 2006-08-29 | Release date: | 2007-06-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of human IPP isomerase: new insights into the catalytic mechanism J.Mol.Biol., 366, 2007
|
|
7XHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xhq by Molmil](/molmil-images/mine/7xhq) | Small-molecule Allosteric Regulation Mechanism of SHP2 | Descriptor: | 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Luo, Y, Zhu, J, Yu, K, Liu, B. | Deposit date: | 2022-04-09 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of the SHP2 allosteric inhibitor 2-((3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-(2,3-dichlorophenyl)-3-methylpyrrolo[2,1-f][1,2,4] triazin-4(3H)-one. J Enzyme Inhib Med Chem, 38, 2023
|
|
6JUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6juf by Molmil](/molmil-images/mine/6juf) | SspB crystal structure | Descriptor: | SspB protein | Authors: | Liqiong, L, Yubing, Z. | Deposit date: | 2019-04-13 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.587 Å) | Cite: | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities. Nat Microbiol, 5, 2020
|
|
6KHR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6khr by Molmil](/molmil-images/mine/6khr) | |
6KVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kva by Molmil](/molmil-images/mine/6kva) | Structure of anti-hCXCR2 abN48-2 in complex with its CXCR2 epitope | Descriptor: | 1,2-ETHANEDIOL, Peptide from C-X-C chemokine receptor type 2, heavy chain, ... | Authors: | Xiang, J.C, Yan, L, Yang, B, Wilson, I.A. | Deposit date: | 2019-09-03 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms. Nat Commun, 12, 2021
|
|
6KVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kvf by Molmil](/molmil-images/mine/6kvf) | Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope | Descriptor: | Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain | Authors: | Xiang, J.C, Yan, L, Yang, B, Wilson, I.A. | Deposit date: | 2019-09-04 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms. Nat Commun, 12, 2021
|
|
7T4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t4b by Molmil](/molmil-images/mine/7t4b) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 14c | Descriptor: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-12-09 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
|
|
7T45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t45 by Molmil](/molmil-images/mine/7t45) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 7c | Descriptor: | (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Kankanamalage, A.C.G, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-12-09 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
|
|
7T41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t41 by Molmil](/molmil-images/mine/7t41) | Structure of MERS 3CL protease in complex with inhibitor 14c | Descriptor: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-12-09 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
|
|