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1FCZ
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ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE PANAGONIST RETINOID BMS181156
分子名称: 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
著者Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
登録日2000-07-19
公開日2000-09-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
4QL1
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Crystal structure of human WDR5 in complex with compound OICR-9429
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
著者Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2014-06-10
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
1FDV
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HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 MUTANT H221L COMPLEXED WITH NAD+
分子名称: 17-BETA-HYDROXYSTEROID DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Mazza, C, Breton, R, Housset, D, Fontecilla-Camps, J.-C.
登録日1998-01-15
公開日1998-05-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Unusual charge stabilization of NADP+ in 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 273, 1998
6MXB
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Crystal structure of Trypanosoma brucei hypoxanthine-guanine-xanthine phosphoribosyltranferase in complex with XMP
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, putative, MAGNESIUM ION, ...
著者Teran, D, Guddat, L.
登録日2018-10-30
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献Crystal structures of Trypanosoma brucei hypoxanthine - guanine - xanthine phosphoribosyltransferase in complex with IMP, GMP and XMP.
Febs J., 286, 2019
1FQW
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CRYSTAL STRUCTURE OF ACTIVATED CHEY
分子名称: BERYLLIUM TRIFLUORIDE ION, CHEMOTAXIS CHEY PROTEIN, MANGANESE (II) ION
著者Lee, S.Y, Cho, H.S, Pelton, J.G, Yan, D, Berry, E.A, Wemmer, D.E.
登録日2000-09-07
公開日2001-07-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of activated CheY. Comparison with other activated receiver domains.
J.Biol.Chem., 276, 2001
8ACA
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SDBC DR_0644 subunit, only-Cu Superoxide Dismutase
分子名称: COPPER (II) ION, DR_0644, only-Cu Superoxide Dismutase
著者Farci, D, Piano, D.
登録日2022-07-05
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献The SDBC is active in quenching oxidative conditions and bridges the cell envelope layers in Deinococcus radiodurans.
J.Biol.Chem., 299, 2023
8AGD
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Full SDBC and SOD assembly
分子名称: (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol, COPPER (II) ION, FE (III) ION, ...
著者Farci, D, Graca, A.T, Piano, D.
登録日2022-07-19
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The SDBC is active in quenching oxidative conditions and bridges the cell envelope layers in Deinococcus radiodurans.
J.Biol.Chem., 299, 2023
1FDW
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HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 MUTANT H221Q COMPLEXED WITH ESTRADIOL
分子名称: 17-BETA-HYDROXYSTEROID DEHYDROGENASE, ESTRADIOL
著者Mazza, C, Breton, R, Housset, D, Fontecilla-Camps, J.-C.
登録日1998-01-16
公開日1998-05-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Unusual charge stabilization of NADP+ in 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 273, 1998
8ACQ
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S-layer Deinoxanthin-Binding Complex (SDBC), subunit DR_2577 assembled with its SOD DR_0644
分子名称: (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol, COPPER (II) ION, DR_0644, ...
著者Farci, D, Piano, D.
登録日2022-07-06
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献The SDBC is active in quenching oxidative conditions and bridges the cell envelope layers in Deinococcus radiodurans.
J.Biol.Chem., 299, 2023
1RTH
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BU of 1rth by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
分子名称: 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
登録日1995-05-03
公開日1996-04-03
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
1FCX
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ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID BMS184394
分子名称: 6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
著者Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
登録日2000-07-19
公開日2000-09-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
1FDU
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HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 MUTANT H221L COMPLEXED WITH ESTRADIOL AND NADP+
分子名称: 17-BETA-HYDROXYSTEROID DEHYDROGENASE, ESTRADIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Mazza, C, Breton, R, Housset, D, Fontecilla-Camps, J.-C.
登録日1998-01-14
公開日1998-05-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Unusual charge stabilization of NADP+ in 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 273, 1998
4R8I
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BU of 4r8i by Molmil
High Resolution Structure of a Mirror-Image RNA Oligonucleotide Aptamer in Complex with the Chemokine CCL2
分子名称: C-C motif chemokine 2, Mirror-Image RNA Oligonucleotide Aptamer NOXE36, POTASSIUM ION, ...
著者Oberthuer, D, Achenbach, J, Gabdulkhakov, A, Falke, S, Buchner, K, Maasch, C, Rehders, D, Klussmann, S, Betzel, C.
登録日2014-09-02
公開日2015-04-29
最終更新日2015-05-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2.
Nat Commun, 6, 2015
6MXG
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BU of 6mxg by Molmil
Crystal structure of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltranferase in complex with XMP
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, SULFATE ION, ...
著者Teran, D, Guddat, L.
登録日2018-10-30
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Crystal structures of Trypanosoma brucei hypoxanthine - guanine - xanthine phosphoribosyltransferase in complex with IMP, GMP and XMP.
Febs J., 286, 2019
6TNC
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BU of 6tnc by Molmil
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 46
分子名称: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
著者Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
登録日2019-12-06
公開日2020-05-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
1FM4
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BU of 1fm4 by Molmil
CRYSTAL STRUCTURE OF THE BIRCH POLLEN ALLERGEN BET V 1L
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, MAJOR POLLEN ALLERGEN BET V 1-L
著者Markovic-Housley, Z, Degano, M, Lamba, D, von Roepenack-Lahaye, E, Clemens, S, Susani, M, Ferreira, F, Scheiner, O, Breiteneder, H.
登録日2000-08-16
公開日2002-12-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal Structure of a Hypoallergenic Isoform of the Major Birch Pollen Allergen Bet v 1 and its Likely Biological Function as a Plant Steroid Carrier
J.Mol.Biol., 325, 2003
8DT0
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Scaffolding protein functional sites using deep learning
分子名称: Scaffolding protein functional sites
著者Bera, A.K, Watson, J, Baker, D.
登録日2022-07-24
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Scaffolding protein functional sites using deep learning.
Science, 377, 2022
7P36
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X-ray structure of Lactobacillus kefir alcohol dehydrogenase (wild type)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Bischoff, D, Walla, B, Janowski, R, Niessing, D, Weuster-Botz, D.
登録日2021-07-07
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Transfer of a Rational Crystal Contact Engineering Strategy between Diverse Alcohol Dehydrogenases
Crystals, 11, 2021
7P7Y
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X-ray structure of Lactobacillus kefir alcohol dehydrogenase mutant Q126K
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Bischoff, D, Walla, B, Janowski, R, Niessing, D, Weuster-Botz, D.
登録日2021-07-21
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Transfer of a Rational Crystal Contact Engineering Strategy between Diverse Alcohol Dehydrogenases
Crystals, 11, 2021
6MXD
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Crystal structure of Trypanosoma brucei hypoxanthine-guanine-xanthine phosphoribosyltranferase in complex with IMP
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, putative, INOSINIC ACID, ...
著者Teran, D, Guddat, L.
登録日2018-10-30
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Crystal structures of Trypanosoma brucei hypoxanthine - guanine - xanthine phosphoribosyltransferase in complex with IMP, GMP and XMP.
Febs J., 286, 2019
8DYA
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BU of 8dya by Molmil
Structure of the SARS-CoV-2 spike glycoprotein S2 subunit
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-08-03
公開日2022-11-30
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献SARS-CoV-2 spike conformation determines plasma neutralizing activity elicited by a wide panel of human vaccines.
Sci Immunol, 7, 2022
6TN9
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X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16
分子名称: Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone
著者Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
登録日2019-12-06
公開日2020-05-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
6WAQ
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Crystal structure of the SARS-CoV-1 RBD bound by the cross-reactive single-domain antibody SARS VHH-72
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, nanobody SARS VHH-72
著者Wrapp, D, McLellan, J.S.
登録日2020-03-25
公開日2020-04-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Potent Neutralization of Betacoronaviruses by Single-Domain Camelid Antibodies.
Cell, 181, 2020
6TND
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X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79
分子名称: BAY 1217389, Dual specificity protein kinase TTK
著者Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
登録日2019-12-06
公開日2020-05-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
1JOJ
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CONCANAVALIN A-HEXAPEPTIDE COMPLEX
分子名称: CALCIUM ION, Concanavalin-Br, HEXAPEPTIDE, ...
著者Jain, D, Kaur, K, Salunke, D.M.
登録日2001-07-30
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Enhanced binding of a rationally designed peptide ligand of concanavalin a arises from improved geometrical complementarity.
Biochemistry, 40, 2001

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