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3KPS
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BU of 3kps by Molmil
Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLQAFTY a self peptide from the ABCD3 protein
Descriptor: Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
7ZFC
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BU of 7zfc by Molmil
SARS-CoV-2 Beta RBD in complex with nanobody C1, Omi-18 and Omi-31 Fabs
Descriptor: Nanobody C1, Omi-18 heavy chain, Omi-18 light chain, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFA
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BU of 7zfa by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-6 and COVOX-150 Fabs
Descriptor: COVOX-150 heavy chain, COVOX-150 light chain, Omi-6 heavy chain, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.24 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
2QIN
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BU of 2qin by Molmil
Stenotrophomonas maltophilia L1 Metallo-beta-Lactamase Asp-120 Cys mutant
Descriptor: MAGNESIUM ION, Metallo-beta-lactamase L1, ZINC ION
Authors:Spencer, J.
Deposit date:2007-07-05
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Basis for the Role of Asp-120 in Metallo-beta-lactamases.
Biochemistry, 46, 2007
2QL7
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BU of 2ql7 by Molmil
Crystal Structure of Caspase-7 with inhibitor AC-IEPD-CHO
Descriptor: CITRIC ACID, Caspase-7, Inhibitor AC-IEPD_CHO, ...
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
3KUP
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BU of 3kup by Molmil
Crystal Structure of the CBX3 Chromo Shadow Domain
Descriptor: Chromobox protein homolog 3, UNKNOWN ATOM OR ION
Authors:Tempel, W, Li, Z, Li, Y, Kozieradzki, I, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-11-27
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal Structure of the CBX3 Chromo Shadow Domain
to be published
6LHU
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BU of 6lhu by Molmil
High resolution structure of FANCA C-terminal domain (CTD)
Descriptor: Fanconi anemia complementation group A
Authors:Jeong, E, Lee, S, Shin, J, Kim, Y, Kim, J, Scharer, O, Kim, Y, Kim, H, Cho, Y.
Deposit date:2019-12-10
Release date:2020-03-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex.
Nucleic Acids Res., 48, 2020
2QLB
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BU of 2qlb by Molmil
Crystal Structure of caspase-7 with inhibitor AC-ESMD-CHO
Descriptor: CITRIC ACID, Caspase-7, Inhibitor AC-ESMD-CHO, ...
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2QZ4
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BU of 2qz4 by Molmil
Human paraplegin, AAA domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Paraplegin
Authors:Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, J, Sagemark, C, Sundstrom, M, Thorsell, A.G, Tresauges, L, Van Den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2007-08-16
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of the ATPase Domain of the Human AAA+ Protein Paraplegin/SPG7.
Plos One, 4, 2009
3KPN
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BU of 3kpn by Molmil
Crystal Structure of HLA B*4403 in complex with EEYLQAFTY a self peptide from the ABCD3 protein
Descriptor: Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPR
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BU of 3kpr by Molmil
Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLKAWTF a mimotope
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KVW
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BU of 3kvw by Molmil
Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand
Descriptor: (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Filippakopoulos, P, Myrianthopoulos, V, Kritsanida, M, Magiatis, P, Skaltsounis, A.L, Soundararajan, M, Krojer, T, Gileadi, O, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-11-30
Release date:2010-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand
To be Published
6LHW
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BU of 6lhw by Molmil
Structure of N-terminal and C-terminal domains of FANCA
Descriptor: Fanconi anemia complementation group A
Authors:Jeong, E, Lee, S, Shin, J, Kim, Y, Kim, J, Scharer, O, Kim, Y, Kim, H, Cho, Y.
Deposit date:2019-12-10
Release date:2020-03-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.84 Å)
Cite:Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex.
Nucleic Acids Res., 48, 2020
3KPP
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BU of 3kpp by Molmil
Crystal Structure of HLA B*4405 in complex with EEYLQAFTY a self peptide from the ABCD3 protein
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, EEYLQAFTY, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPO
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BU of 3kpo by Molmil
Crystal Structure of HLA B*4403 in complex with EEYLKAWTF, a mimotope
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPM
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BU of 3kpm by Molmil
Crystal Structure of HLA B*4402 in complex with EEYLKAWTF, a mimotope
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KTT
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BU of 3ktt by Molmil
Atomic model of bovine TRiC CCT2(beta) subunit derived from a 4.0 Angstrom cryo-EM map
Descriptor: T-complex protein 1 subunit beta
Authors:Cong, Y, Baker, M.L, Ludtke, S.J, Frydman, J, Chiu, W.
Deposit date:2009-11-25
Release date:2010-03-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4 Å)
Cite:4.0-A resolution cryo-EM structure of the mammalian chaperonin TRiC/CCT reveals its unique subunit arrangement.
Proc.Natl.Acad.Sci.USA, 107, 2010
7ZBE
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BU of 7zbe by Molmil
Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SwissFEL)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
Deposit date:2022-03-23
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
7Z3T
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BU of 7z3t by Molmil
Crystal structure of apo human Cathepsin L
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2022-03-02
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7Z58
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BU of 7z58 by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin
Descriptor: 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2022-03-08
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7ZBC
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BU of 7zbc by Molmil
Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, S, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
Deposit date:2022-03-23
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
6L7P
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BU of 6l7p by Molmil
cryo-EM structure of cyanobacteria NDH-1LdelV complex
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ...
Authors:Zhang, C, Shuai, J, Wu, J, Lei, M.
Deposit date:2019-11-02
Release date:2020-02-19
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into NDH-1 mediated cyclic electron transfer.
Nat Commun, 11, 2020
7Z3U
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BU of 7z3u by Molmil
Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, Calpeptin, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2022-03-02
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
6LOX
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BU of 6lox by Molmil
Crystal Structure of human glutaminase with macrocyclic inhibitor
Descriptor: (E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione, Glutaminase kidney isoform, mitochondrial
Authors:Bian, J, Li, Z, Xu, X, Wang, J, Li, L.
Deposit date:2020-01-07
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-Enabled Discovery of Novel Macrocyclic Inhibitors Targeting Glutaminase 1 Allosteric Binding Site.
J.Med.Chem., 64, 2021
6DBS
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BU of 6dbs by Molmil
Fusion surface structure, function, and dynamics of gamete fusogen HAP2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hapless 2, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feng, J, Dong, X, Springer, T.A.
Deposit date:2018-05-03
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Fusion surface structure, function, and dynamics of gamete fusogen HAP2.
Elife, 7, 2018

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