6KV1
| Structure of wild type closed form of peptidoglycan peptidase ZN SAD | Descriptor: | CITRIC ACID, Peptidase M23, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-09-03 | Release date: | 2020-01-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.722 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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7OXF
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2N5S
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2MKA
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2LZO
| Spatial structure of Pi-AnmTX Ugr 9a-1 | Descriptor: | UGTX | Authors: | Mineev, K, Arseniev, A. | Deposit date: | 2012-10-08 | Release date: | 2013-07-03 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Sea Anemone Peptide with Uncommon beta-Hairpin Structure Inhibits Acid-sensing Ion Channel 3 (ASIC3) and Reveals Analgesic Activity. J.Biol.Chem., 288, 2013
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6XHO
| Covalent complex of SARS-CoV main protease with ethyl (4R)-4-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | Deposit date: | 2020-06-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.446 Å) | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
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6XHN
| Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Descriptor: | (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate, 1,2-ETHANEDIOL, 3C-like proteinase | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | Deposit date: | 2020-06-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.377 Å) | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
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6XHM
| Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | Deposit date: | 2020-06-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.406 Å) | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
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4URS
| Crystal Structure of GGDEF domain from T.maritima | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DIGUANYLATE CYCLASE, ... | Authors: | Deepthi, A, Liew, C.W, Liang, Z.X, Swaminathan, K, Lescar, J. | Deposit date: | 2014-07-02 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structure of a Diguanylate Cyclase from Thermotoga Maritima: Insights Into Activation, Feedback Inhibition and Thermostability Plos One, 9, 2014
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5IT3
| Swirm domain of human Lsd1 | Descriptor: | Lysine-specific histone demethylase 1A, MAGNESIUM ION | Authors: | Jeffrey, P.D, Yuan, P. | Deposit date: | 2016-03-16 | Release date: | 2016-05-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Tlx-interacting peptide of Lsd1 inhibits the proliferation of brain tumor stem cells To Be Published
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5B36
| Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with Cysteine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYSTEINE, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Nakamura, T, Takeda, E, Kawai, Y, Kataoka, M, Ishikawa, K. | Deposit date: | 2016-02-10 | Release date: | 2016-03-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Role of F225 in O-phosphoserine sulfhydrylase from Aeropyrum pernix K1 Extremophiles, 20, 2016
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5B3A
| Crystal Structure of O-Phoshoserine Sulfhydrylase from Aeropyrum pernix in Complexed with the alpha-Aminoacrylate Intermediate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Protein CysO | Authors: | Nakamura, T, Takeda, E, Kawai, Y, Kataoka, M, Ishikawa, K. | Deposit date: | 2016-02-12 | Release date: | 2016-03-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Role of F225 in O-phosphoserine sulfhydrylase from Aeropyrum pernix K1 Extremophiles, 20, 2016
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6LDX
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6LDY
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6LDW
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6LDV
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6MC1
| Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, ACETATE ION, ... | Authors: | Gannam, Z.T.K, Anderson, K.S, Bennett, A.M, Lolis, E. | Deposit date: | 2018-08-30 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An allosteric site on MKP5 reveals a strategy for small-molecule inhibition. Sci.Signal., 13, 2020
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7E69
| The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-3 | Descriptor: | N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E65
| The crystal structure of peptidoglycan peptidase in complex with inhibitor 3 | Descriptor: | (2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E64
| The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-2 | Descriptor: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E67
| The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-2 | Descriptor: | N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E61
| The crystal structure of peptidoglycan peptidase in complex with inhibitor 2 | Descriptor: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION | Authors: | Min, K.J, Yoon, H.J, Choi, Y, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E63
| The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-1 | Descriptor: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E66
| The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-1 | Descriptor: | N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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2E5B
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