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6XLQ
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BU of 6xlq by Molmil
Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab
Descriptor: Butyrophilin subfamily 3 member A1, CTX-2026 Heavy Chain, CTX-2026 Light Chain
Authors:Payne, K.K, Mine, J.A, Biswas, S, Chaurio, R.A, Perales-Puchalt, A, Anadon, C.M, Costich, T.L, Harro, C.M, Walrath, J, Ming, Q, Tcyganov, E, Buras, A.L, Rigolizzo, K.E, Mandal, G, Lajoie, J, Ophir, M, Tchou, J, Marchion, D, Luca, V.C, Bobrowicz, P, McLaughlin, B, Eskiocak, U, Schmidt, M, Cubillos-Ruiz, J.R, Rodriguez, P.C, Gabrilovich, D.I, Conejo-Garcia, J.R.
Deposit date:2020-06-29
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:BTN3A1 governs antitumor responses by coordinating alpha beta and gamma delta T cells.
Science, 369, 2020
6GWJ
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BU of 6gwj by Molmil
Human OSGEP / LAGE3 / GON7 complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, EKC/KEOPS complex subunit GON7, ...
Authors:Missoury, S, Liger, D, Durand, D, Collinet, B, Tilbeurgh, V.H.
Deposit date:2018-06-25
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Defects in t 6 A tRNA modification due to GON7 and YRDC mutations lead to Galloway-Mowat syndrome.
Nat Commun, 10, 2019
6E8R
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BU of 6e8r by Molmil
Structure of the SNX32 PX domain in complex with Chlamydial protein IncE in space group I121
Descriptor: IncE, Sorting nexin-32
Authors:Paul, B, Collins, B.
Deposit date:2018-07-31
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.268 Å)
Cite:Crystal structure of the SNX32 PX domain in complex with the Chlamydia trachomatis inclusion protein IncE
To be Published
6HX7
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BU of 6hx7 by Molmil
Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom
Descriptor: Ornithine aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE
Authors:Giardina, G, Montioli, R, Cellini, B, Cutruzzola, F, Borri Voltattorni, C.
Deposit date:2018-10-16
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:R180T variant of delta-ornithine aminotransferase associated with gyrate atrophy: biochemical, computational, X-ray and NMR studies provide insight into its catalytic features.
Febs J., 286, 2019
5LUC
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BU of 5luc by Molmil
Crystal structure of the D183N variant of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at 1.8 Angstrom; internal aldimine with PLP in the active site
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
Authors:Giardina, G, Cutruzzola, F, Cellini, B, Borri Voltattorni, C, Montioli, R.
Deposit date:2016-09-08
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis.
Sci Rep, 7, 2017
8FMU
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BU of 8fmu by Molmil
Crystal structure of human Brachyury G177D variant in complex with SJF-4601
Descriptor: N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide, T-box transcription factor T
Authors:Bebenek, A, Linhares, B, Jaime-Figueroa, S, Butrin, A, Crews, C.
Deposit date:2022-12-24
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery and Development of the First Selective Brachyury Degrader
To Be Published
4CPZ
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BU of 4cpz by Molmil
Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Zanamivir
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
Deposit date:2014-02-09
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPN
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BU of 4cpn by Molmil
Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Zanamivir
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
Deposit date:2014-02-08
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPL
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BU of 4cpl by Molmil
Structure of the Neuraminidase from the B/Brisbane/60/2008 virus.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
Deposit date:2014-02-07
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPO
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BU of 4cpo by Molmil
Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
Deposit date:2014-02-08
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPY
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BU of 4cpy by Molmil
Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Oseltamivir
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
Deposit date:2014-02-09
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPM
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BU of 4cpm by Molmil
Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Oseltamivir
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
Deposit date:2014-02-07
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
8BYV
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BU of 8byv by Molmil
Cryo-EM structure of a Staphylococus aureus 30S-RbfA complex
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Bikmullin, A.G, Fatkhullin, B, Stetsenko, A, Guskov, A, Yusupov, M.
Deposit date:2022-12-14
Release date:2023-12-27
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Yet Another Similarity between Mitochondrial and Bacterial Ribosomal Small Subunit Biogenesis Obtained by Structural Characterization of RbfA from S. aureus.
Int J Mol Sci, 24, 2023
6F89
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BU of 6f89 by Molmil
Structure of H234A/Y235A P.abyssi Sua5
Descriptor: BICARBONATE ION, THREONINE, Threonylcarbamoyl-AMP synthase
Authors:Pichard-Kostuch, A, Zhang, W, Liger, D, Daugeron, M.C, Letoquart, J, Li de la Sierra-Gallay, I, Forterre, P, Collinet, B, van Tilbeurgh, H, Basta, T.
Deposit date:2017-12-12
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structure-function analysis of Sua5 protein reveals novel functional motifs required for the biosynthesis of the universal t6A tRNA modification.
RNA, 24, 2018
6F87
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BU of 6f87 by Molmil
Crystal structure of P. abyssi Sua5 complexed with L-threonine and PPi
Descriptor: PYROPHOSPHATE 2-, THREONINE, Threonylcarbamoyl-AMP synthase
Authors:Pichard-Kostuch, A, Zhang, W, Liger, D, Daugeron, M.C, Letoquart, J, Li de la Sierra-Gallay, I, Forterre, P, Collinet, B, van Tilbeurgh, H, Basta, T.
Deposit date:2017-12-12
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure-function analysis of Sua5 protein reveals novel functional motifs required for the biosynthesis of the universal t6A tRNA modification.
RNA, 24, 2018
6F8Y
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BU of 6f8y by Molmil
Crystal structure of P. abyssi Sua5 complexed with L-threonine
Descriptor: THREONINE, Threonylcarbamoyl-AMP synthase
Authors:Pichard-Kostuch, A, Zhang, W, Liger, D, Daugeron, M.C, Letoquart, J, Li de la Sierra-Gallay, I, Forterre, P, Collinet, B, van Tilbeurgh, H, Basta, T.
Deposit date:2017-12-13
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structure-function analysis of Sua5 protein reveals novel functional motifs required for the biosynthesis of the universal t6A tRNA modification.
RNA, 24, 2018
6SJ6
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BU of 6sj6 by Molmil
Cryo-EM structure of 50S-RsfS complex from Staphylococcus aureus
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Khusainov, I, Pellegrino, S, Yusupova, G, Yusupov, M, Fatkhullin, B.
Deposit date:2019-08-12
Release date:2020-04-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Mechanism of ribosome shutdown by RsfS in Staphylococcus aureus revealed by integrative structural biology approach.
Nat Commun, 11, 2020
5HHY
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BU of 5hhy by Molmil
Structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) showing X-Ray induced reduction of PLP internal aldimine to 4'-deoxy-piridoxine-phosphate (PLR)
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Serine--pyruvate aminotransferase
Authors:Giardina, G, Cutruzzola, F, Borri Voltattorni, C, Cellini, B, Montioli, R.
Deposit date:2016-01-11
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis.
Sci Rep, 7, 2017
5E7F
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BU of 5e7f by Molmil
Complex between lactococcal phage Tuc2009 RBP head domain and a nanobody (L06)
Descriptor: Major structural protein 1, nanobody L06
Authors:Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C.
Deposit date:2015-10-12
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules.
Mbio, 7, 2016
5E7T
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BU of 5e7t by Molmil
Structure of the tripod (BppUct-A-L) from the baseplate of bacteriophage Tuc2009
Descriptor: CALCIUM ION, Major structural protein 1, Minor structural protein 4, ...
Authors:Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C.
Deposit date:2015-10-13
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules.
Mbio, 7, 2016
3KEC
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BU of 3kec by Molmil
Crystal Structure of Human MMP-13 complexed with a phenyl-2H-tetrazole compound
Descriptor: 4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Shieh, H.-S, Pavlovsky, A.G, Collins, B, Schnute, M.E.
Deposit date:2009-10-25
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2010
5E7B
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BU of 5e7b by Molmil
Structure of a nanobody (vHH) from camel against phage Tuc2009 RBP (BppL, ORF53)
Descriptor: nanobody nano-L06
Authors:Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C.
Deposit date:2015-10-12
Release date:2015-12-30
Last modified:2016-05-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules.
Mbio, 7, 2016
6Q8P
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BU of 6q8p by Molmil
Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine
Descriptor: Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
Authors:Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-15
Release date:2019-02-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
6Q8K
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BU of 6q8k by Molmil
CLK1 with bound pyridoquinazoline
Descriptor: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
Authors:Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Joesselin, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-14
Release date:2019-02-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
3KEJ
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BU of 3kej by Molmil
Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound
Descriptor: 4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid, CALCIUM ION, Collagenase 3, ...
Authors:Shieh, H.-S, Collins, B, Schnute, M.E.
Deposit date:2009-10-26
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2010

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