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8A2M
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BU of 8a2m by Molmil
X-ray structure of Ru(bpy)3]2+ complex (Ru1)-encapsulated human heavy chain ferritin
分子名称: CHLORIDE ION, FE (III) ION, Ferritin heavy chain, ...
著者Ferraro, G, Merlino, A.
登録日2022-06-03
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A new and efficient procedure to load bioactive molecules within the human heavy-chain ferritin nanocage.
Front Mol Biosci, 10, 2023
5MER
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BU of 5mer by Molmil
Human Leukocyte Antigen A02 presenting ILAKFLHEL
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ...
著者Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K.
登録日2016-11-16
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
3IX0
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BU of 3ix0 by Molmil
Crystal structure of human seminal plasma protein PSP94
分子名称: Beta-microseminoprotein
著者Kumar, M, Kumar, A, Jagtap, D.D, Mahale, S.D.
登録日2009-09-03
公開日2010-03-16
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of prostate secretory protein PSP94 shows an edge-to-edge association of two monomers to form a homodimer
J.Mol.Biol., 397, 2010
5IX6
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BU of 5ix6 by Molmil
X-ray structure of Auoxo3-encapsulated horse spleen apoferritin
分子名称: CADMIUM ION, Ferritin light chain, GOLD ION, ...
著者Ferraro, G, Pontillo, N, Merlino, A.
登録日2016-03-23
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Gold-based drug encapsulation within a ferritin nanocage: X-ray structure and biological evaluation as a potential anticancer agent of the Auoxo3-loaded protein.
Chem.Commun.(Camb.), 52, 2016
5FQU
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BU of 5fqu by Molmil
Orthorhombic crystal structure of of PlpD (selenomethionine derivative)
分子名称: AZIDE ION, PATATIN-LIKE PROTEIN, PLPD, ...
著者Vinicius da Mata Madeira, P, Zouhir, S, Basso, P, Neves, D, Laubier, A, Salacha, R, Bleves, S, Faudry, E, Contreras-Martel, C, Dessen, A.
登録日2015-12-14
公開日2016-04-06
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural Basis of Lipid Targeting and Destruction by the Type V Secretion System of Pseudomonas Aeruginosa.
J.Mol.Biol., 428, 2016
5FES
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BU of 5fes by Molmil
HydE from T. maritima in complex with (2R,4R)-MeSeTDA
分子名称: (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
著者Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
登録日2015-12-17
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FF2
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BU of 5ff2 by Molmil
HydE from T. maritima in complex with (2R,4R)-TDA
分子名称: (2~{R},4~{R})-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
著者Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
登録日2015-12-17
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
6B08
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BU of 6b08 by Molmil
Crystal structure of Pfs25 in complex with the transmission blocking antibody 1276
分子名称: 1276 antibody, heavy chain, light chain, ...
著者Scally, S.W, McLeod, B, Bosch, A, King, C.R, Julien, J.P.
登録日2017-09-14
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25.
Nat Commun, 8, 2017
7ASN
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BU of 7asn by Molmil
Staphylococcus aureus 50S after 30 minutes incubation a 37C
分子名称: 23S, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Cimicata, G, Bashan, A, Yonath, A.
登録日2020-10-27
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Staphylococcus aureus 50S after 30 minutes incubation a 37C
To Be Published
8BXL
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BU of 8bxl by Molmil
Patulin Synthase from Penicillium expansum
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Tjallinks, G, Boverio, A, Rozeboom, H.J, Fraaije, M.W.
登録日2022-12-09
公開日2023-09-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure elucidation and characterization of patulin synthase, insights into the formation of a fungal mycotoxin.
Febs J., 290, 2023
5MEQ
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BU of 5meq by Molmil
Human Leukocyte Antigen A02 presenting ILAKFLHTL
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K.
登録日2016-11-16
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
8BLW
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BU of 8blw by Molmil
Vitamin B12 transporter BtuB1 with lipoprotein BtuG1 from B. theta
分子名称: Vitamin B12 transporter BtuB1, YncE family protein, beta-D-galactopyranose
著者Silale, A, Abellon-Ruiz, J, van den Berg, B.
登録日2022-11-10
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides.
Nat Commun, 14, 2023
7ASM
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BU of 7asm by Molmil
Staphylococcus aureus 50S after 30 minutes incubation at 37C
分子名称: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Cimicata, G, Bashan, A, Yonath, A.
登録日2020-10-27
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Staphylococcus aureus 50S after 30 minutes incubation a 37C
To Be Published
1VIJ
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BU of 1vij by Molmil
HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR HOE/BAY 793 HEXAGONAL FORM
分子名称: HIV-1 PROTEASE, N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRYLAMINO}-5-PHENYL-PENTYL)-3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRAMIDE
著者Lange-Savage, G, Berchtold, H, Liesum, A, Hilgenfeld, R.
登録日1997-05-07
公開日1999-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of HOE/BAY 793 complexed to human immunodeficiency virus (HIV-1) protease in two different crystal forms--structure/function relationship and influence of crystal packing.
Eur.J.Biochem., 248, 1997
1VIK
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BU of 1vik by Molmil
HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR HOE/BAY 793 ORTHORHOMBIC FORM
分子名称: HIV-1 PROTEASE, N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRYLAMINO}-5-PHENYL-PENTYL)-3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRAMIDE
著者Lange-Savage, G, Berchtold, H, Liesum, A, Hilgenfeld, R.
登録日1997-05-07
公開日1998-12-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of HOE/BAY 793 complexed to human immunodeficiency virus (HIV-1) protease in two different crystal forms--structure/function relationship and influence of crystal packing.
Eur.J.Biochem., 248, 1997
8A6D
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BU of 8a6d by Molmil
10 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase
分子名称: (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, ...
著者Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, 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.M, Diethelm, A.D, 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.
登録日2022-06-17
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
7ASO
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BU of 7aso by Molmil
Staphylococcus aureus 70S after 30 minutes incubation at 37C
分子名称: 16S, 23S, 30S ribosomal protein S10, ...
著者Cimicata, G, Bashan, A, Yonath, A.
登録日2020-10-27
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Staphylococcus aureus 70S after 30 minutes incubation a 37C
To Be Published
5FON
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BU of 5fon by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain (apo structure)
分子名称: LEUCYL-TRNA SYNTHETASE
著者Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
登録日2015-11-24
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
8A6C
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BU of 8a6c by Molmil
1 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase
分子名称: (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, ...
著者Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, 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.M, Diethelm, A.D, 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.
登録日2022-06-17
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
5FOJ
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BU of 5foj by Molmil
Cryo electron microscopy structure of Grapevine Fanleaf Virus complex with Nanobody
分子名称: Nanobody, RNA2 polyprotein
著者Orlov, I, Hemmer, C, Ackerer, L, Lorber, B, Ghannam, A, Poignavent, V, Hleibieh, K, Sauter, C, Schmitt-Keichinger, C, Belval, L, Hily, J.M, Marmonier, A, Komar, V, Gersch, S, Schellenberger, P, Bron, P, Vigne, E, Muyldermans, S, Lemaire, O, Demangeat, G, Ritzenthaler, C, Klaholz, B.P.
登録日2015-11-22
公開日2016-01-20
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of nanobody recognition of grapevine fanleaf virus and of virus resistance loss.
Proc.Natl.Acad.Sci.USA, 2020
4LAU
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BU of 4lau by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.843 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
7ASP
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BU of 7asp by Molmil
Staphylococcus aureus 70S after 50 minutes incubation at 37C
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Cimicata, G, Bashan, A, Yonath, A.
登録日2020-10-27
公開日2021-11-17
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Staphylococcus aureus 50S after 30 minutes incubation a 37C
To Be Published
6B0H
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BU of 6b0h by Molmil
Crystal structure of Pfs25 in complex with the transmission blocking antibody 1262
分子名称: 1,2-ETHANEDIOL, 1262 antibody, heavy chain, ...
著者McLeod, B, Scally, S.W, Bosch, A, King, C.R, Julien, J.P.
登録日2017-09-14
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25.
Nat Commun, 8, 2017
4ID7
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BU of 4id7 by Molmil
ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
分子名称: Activated CDC42 kinase 1, SULFATE ION, cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
著者Jin, M, Wang, J, Kleinberg, A, Kadalbajoo, M, Siu, K, Cooke, A, Bittner, M, Yao, Y, Thelemann, A, Ji, Q, Bhagwat, S, Crew, A.P, Pachter, J, Epstein, D, Mulvihill, M.J.
登録日2012-12-11
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4LBR
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BU of 4lbr by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-21
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013

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