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8CJ9
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BU of 8cj9 by Molmil
Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide
Descriptor: 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2023-02-12
Release date:2024-02-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
8CIH
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BU of 8cih by Molmil
Structure of FL CINP
Descriptor: Cyclin-dependent kinase 2-interacting protein, SODIUM ION
Authors:Foglizzo, M, Zeqiraj, E.
Deposit date:2023-02-09
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity.
Cell, 187, 2024
7S17
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BU of 7s17 by Molmil
Crystal structure of human G3BP1-NTF2 with three mutations- F15W, F33W, and F124W
Descriptor: Ras GTPase-activating protein-binding protein 1
Authors:Sheehan, C.T, Madden, D.R.
Deposit date:2021-09-01
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Tryptophan mutations in G3BP1 tune the stability of a cellular signaling hub by weakening transient interactions with Caprin1 and USP10.
J.Biol.Chem., 298, 2022
6Y8Q
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BU of 6y8q by Molmil
AbiEi antitoxin from Streptococcus agalactiae
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Abortive phage infection protein
Authors:Blower, T.R, Beck, I.N.
Deposit date:2020-03-05
Release date:2020-12-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Antitoxin autoregulation of M. tuberculosis toxin-antitoxin expression through negative cooperativity arising from multiple inverted repeat sequences.
Biochem.J., 477, 2020
6S8W
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BU of 6s8w by Molmil
Aromatic aminotransferase AroH (Aro8) form Aspergillus fumigatus in complex with PLP (internal aldimine)
Descriptor: Aromatic aminotransferase Aro8, putative, FORMIC ACID, ...
Authors:Giardina, G, Mirco, D, Spizzichino, S, Zelante, T, Cutruzzola, F, Romani, L, Cellini, B.
Deposit date:2019-07-10
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Aspergillus fumigatus AroH, an aromatic amino acid aminotransferase
Proteins, 2021
6YGG
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BU of 6ygg by Molmil
NADase from Aspergillus fumigatus complexed with a substrate anologue
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, AfNADase, ...
Authors:Stromland, O, Ziegler, M, Kallio, J.P.
Deposit date:2020-03-27
Release date:2020-12-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of fungal surface NADases predominantly present in pathogenic species.
Nat Commun, 12, 2021
6SNA
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BU of 6sna by Molmil
Crystal structure of Antirestriction ArdC protein from R388 plasmid. Mn(II)-bound structure.
Descriptor: ArdC protein, MANGANESE (II) ION
Authors:Gonzalez-Montes, L, Moncalian, G.
Deposit date:2019-08-23
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ArdC, a ssDNA-binding protein with a metalloprotease domain, overpasses the recipient hsdRMS restriction system broadening conjugation host range.
Plos Genet., 16, 2020
6YGE
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BU of 6yge by Molmil
NADase from Aspergillus fumigatus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, AfNADase, ...
Authors:Stromland, O, Ziegler, M, Kallio, J.P.
Deposit date:2020-03-27
Release date:2020-12-23
Last modified:2021-07-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of fungal surface NADases predominantly present in pathogenic species.
Nat Commun, 12, 2021
8C0T
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BU of 8c0t by Molmil
NRS 1.2: Fluorescent Sensors for Imaging Interstitial Calcium
Descriptor: CALCIUM ION, SULFATE ION, mNeonGreen,Optimized Ratiometric Calcium Sensor
Authors:Basquin, J, Griesbeck, O, Valiente-Gabioud, A.
Deposit date:2022-12-19
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Fluorescent sensors for imaging of interstitial calcium.
Nat Commun, 14, 2023
7ZT2
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BU of 7zt2 by Molmil
Structure of E8 TCR in complex with human MR1 bound to 5-OP-RU
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, ...
Authors:Karuppiah, V, Srikannathasan, V, Robinson, R.A.
Deposit date:2022-05-09
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT8
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BU of 7zt8 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 3FBA
Descriptor: 1,2-ETHANEDIOL, 3-methylbenzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
Authors:Karuppiah, V, Srikannathasan, V, Robinson, R.A.
Deposit date:2022-05-09
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT4
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BU of 7zt4 by Molmil
Structure of E8 TCR in complex with human MR1 bound to 6FP
Descriptor: 2-azanyl-6-methyl-3~{H}-pteridin-4-one, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
Authors:Karuppiah, V, Robinson, R.A.
Deposit date:2022-05-09
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT5
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BU of 7zt5 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 3FSA
Descriptor: 3-methanoyl-2-oxidanyl-benzoic acid, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
Authors:Karuppiah, V, Robinson, R.A.
Deposit date:2022-05-09
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT9
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BU of 7zt9 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 4FBA
Descriptor: 1,2-ETHANEDIOL, 4-METHYLBENZOIC ACID, Beta-2-microglobulin, ...
Authors:Karuppiah, V, Srikannathasan, V, Robinson, R.A.
Deposit date:2022-05-09
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
6YQ4
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BU of 6yq4 by Molmil
Crystal structure of Fusobacterium nucleatum tannase
Descriptor: GLYCEROL, MAGNESIUM ION, SPERMIDINE, ...
Authors:Mancheno, J.M, Anguita, J, Rodriguez, H.
Deposit date:2020-04-16
Release date:2021-03-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance.
Microb Biotechnol, 15, 2022
7ZT7
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BU of 7zt7 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 5FSA
Descriptor: 1,2-ETHANEDIOL, 2-hydroxy-5-methylbenzoic acid, Beta-2-microglobulin, ...
Authors:Karuppiah, V, Robinson, R.A.
Deposit date:2022-05-09
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT3
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BU of 7zt3 by Molmil
Structure of E8 TCR in complex in human MR1 K43A
Descriptor: Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, TCR alpha, ...
Authors:Karuppiah, V, Srikannathasan, V, Robinson, R.A.
Deposit date:2022-05-09
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
6SZM
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BU of 6szm by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009
Descriptor: 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-10-02
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
6YMN
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BU of 6ymn by Molmil
Crystal structure of the Diels Alderase AbmU from Streptomyces koyangensis
Descriptor: AbmU, BROMIDE ION
Authors:Back, C.R, Burton, N, Race, P.R.
Deposit date:2020-04-09
Release date:2021-04-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the Diels Alderase AbmU from Streptomyces koyangensis
To Be Published
3Q4L
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BU of 3q4l by Molmil
Structure of a small peptide ligand bound to E.coli DNA sliding clamp
Descriptor: DNA polymerase III subunit beta, SODIUM ION, peptide ligand
Authors:Wolff, P, Olieric, V, Briand, J.P, Chaloin, O, Dejaegere, A, Dumas, P, Ennifar, E, Guichard, G, Wagner, J, Burnouf, D.
Deposit date:2010-12-23
Release date:2011-12-28
Last modified:2013-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design of short peptide ligands binding onto the E. coli processivity ring.
J.Med.Chem., 54, 2011
8CK6
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BU of 8ck6 by Molmil
Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide
Descriptor: 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2023-02-14
Release date:2024-02-28
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
7ZV7
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BU of 7zv7 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 57
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, inhibitor 57
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
8CKQ
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BU of 8ckq by Molmil
Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide
Descriptor: 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2023-02-16
Release date:2024-02-28
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
8CKT
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BU of 8ckt by Molmil
Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide
Descriptor: 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2023-02-16
Release date:2024-02-28
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
8CLW
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BU of 8clw by Molmil
Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide
Descriptor: 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, Cytokinin dehydrogenase 4, ...
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2023-02-17
Release date:2024-02-28
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024

225681

數據於2024-10-02公開中

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