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3N32
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BU of 3n32 by Molmil
The crystal structure of human Ubiquitin adduct with Zeise's salt
分子名称: PLATINUM (II) ION, Ubiquitin
著者Siliqi, D, Caliandro, R, Falini, G, Fermani, S, Natile, G, Arnesano, F, Belviso, B.D.
登録日2010-05-19
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Crystallographic analysis of metal-ion binding to human ubiquitin.
Chemistry, 17, 2011
2PKQ
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BU of 2pkq by Molmil
Crystal structure of the photosynthetic A2B2-glyceraldehyde-3-phosphate dehydrogenase, complexed with NADP
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, Glyceraldehyde-3-phosphate dehydrogenase B, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Fermani, S, Falini, G, Ripamonti, A.
登録日2007-04-18
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Molecular mechanism of thioredoxin regulation in photosynthetic A2B2-glyceraldehyde-3-phosphate dehydrogenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1ZKR
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BU of 1zkr by Molmil
Crystal structure of the major cat allergen Fel d 1 (1+2)
分子名称: Major allergen I polypeptide, fused chain 1, chain 2
著者Kaiser, L, Cirkovic Velickovic, T, Adedoyin, J, Thunberg, S, Gronlund, H, Gafvelin, G, van Hage, M, Achour, A.
登録日2005-05-04
公開日2006-05-16
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of the major cat allergen Fel d 1 (1+2)
To be Published
6CM2
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BU of 6cm2 by Molmil
SAMHD1 HD domain bound to decitabine triphosphate
分子名称: 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J.
登録日2018-03-02
公開日2019-06-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML.
Nat Commun, 10, 2019
6DWJ
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SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
登録日2018-06-26
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DWD
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SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
登録日2018-06-26
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW4
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SAMHD1 Bound to Cladribine-TP in the Catalytic Pocket and Allosteric Pocket
分子名称: 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
登録日2018-06-26
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DWK
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SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine, ...
著者Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
登録日2018-06-26
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2C3E
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BU of 2c3e by Molmil
The bovine mitochondrial ADP-ATP carrier
分子名称: ADP/ATP TRANSLOCASE 1, CARDIOLIPIN, Carboxyatractyloside
著者Nury, H, Dahout-Gonzalez, C, Trezeguet, V, Lauquin, G, Brandolin, G, Pebay-Peyroula, E.
登録日2005-10-06
公開日2005-10-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Lipid-Mediated Interactions between Mitochondrial Adp/ATP Carrier Monomers.
FEBS Lett., 579, 2005
1F9I
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BU of 1f9i by Molmil
CRYSTAL STRUCTURE OF THE PHOTOACTIVE YELLOW PROTEIN MUTANT Y42F
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Brudler, R, Meyer, T.E, Genick, U.K, Tollin, G, Getzoff, E.D.
登録日2000-07-10
公開日2000-07-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Coupling of hydrogen bonding to chromophore conformation and function in photoactive yellow protein.
Biochemistry, 39, 2000
1F98
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CRYSTAL STRUCTURE OF THE PHOTOACTIVE YELLOW PROTEIN MUTANT T50V
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Brudler, R, Meyer, T.E, Genick, U.K, Tollin, G, Getzoff, E.D.
登録日2000-07-07
公開日2000-07-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Coupling of hydrogen bonding to chromophore conformation and function in photoactive yellow protein.
Biochemistry, 39, 2000
4BFR
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BU of 4bfr by Molmil
Discovery and Optimization of Pyrimidone Indoline Amide PI3Kbeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers
分子名称: 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC S SUBUNIT BETA ISOFORM
著者Certal, V, Carry, J.C, Halley, F, Virone-Oddos, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Karlsson, A, Charrier, V, Delorme, C, Rak, A, Abecassis, P.Y, Amara, C, Vincent, L, Bonnevaux, H, Nicolas, J.P, Mathieu, M, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Perrin, M.A, Perron, S, Monget, S, Gruss-Leleu, F, Doerflinger, G, Guizani, H, Brollo, M, Delbarre, L, Bertin, L, Richepin, P, Loyau, V, Garcia-Echeverria, C, Lengauer, C, Schio, L.
登録日2013-03-22
公開日2014-01-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Optimization of Pyrimidone Indoline Amide Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.
J.Med.Chem., 57, 2014
1KV7
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BU of 1kv7 by Molmil
Crystal Structure of CueO, a multi-copper oxidase from E. coli involved in copper homeostasis
分子名称: COPPER (II) ION, CU-O-CU LINKAGE, PROBABLE BLUE-COPPER PROTEIN YACK
著者Roberts, S.A, Weichsel, A, Grass, G, Thakali, K, Hazzard, J.T, Tollin, G, Rensing, C, Montfort, W.R.
登録日2002-01-25
公開日2002-02-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure and electron transfer kinetics of CueO, a multicopper oxidase required for copper homeostasis in Escherichia coli.
Proc.Natl.Acad.Sci.USA, 99, 2002
3RVD
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BU of 3rvd by Molmil
Crystal structure of the binary complex, obtained by soaking, of photosyntetic a4 glyceraldehyde 3-phosphate dehydrogenase (gapdh) with cp12-2, both from arabidopsis thaliana.
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Fermani, S, Thumiger, A, Falini, G, Marri, L, Sparla, F, Trost, P.
登録日2011-05-06
公開日2012-04-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Conformational Selection and Folding-upon-binding of Intrinsically Disordered Protein CP12 Regulate Photosynthetic Enzymes Assembly.
J.Biol.Chem., 287, 2012
3QV1
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Crystal structure of the binary complex of photosyntetic A4 glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with cp12-2, both from Arabidopsis thaliana.
分子名称: 1,2-ETHANEDIOL, CP12 protein, DI(HYDROXYETHYL)ETHER, ...
著者Thumiger, A, Fermani, S, Falini, G, Marri, L, Sparla, F, Trost, P.
登録日2011-02-25
公開日2012-02-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational Selection and Folding-upon-binding of Intrinsically Disordered Protein CP12 Regulate Photosynthetic Enzymes Assembly.
J.Biol.Chem., 287, 2012
1KA8
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BU of 1ka8 by Molmil
Crystal Structure of the Phage P4 Origin-Binding Domain
分子名称: putative P4-specific DNA primase
著者Yeo, H.J, Ziegelin, G, Korolev, S, Calendar, R, Lanka, E, Waksman, G.
登録日2001-10-31
公開日2002-04-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Phage P4 origin-binding domain structure reveals a mechanism for regulation of DNA-binding activity by homo- and heterodimerization of winged helix proteins.
Mol.Microbiol., 43, 2002
2N2P
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BU of 2n2p by Molmil
Solution structure of a double base-pair inversion mutant of murine tumour necrosis factor alpha CDE-23 RNA
分子名称: RNA (5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*AP*GP*UP*GP*UP*CP*UP*AP*AP*AP*CP*GP*GP*UP*U)-3')
著者Codutti, L, Leppek, K, Zalesak, J, Windeisen, V, Masiewicz, P, Stoecklin, G, Carlomagno, T.
登録日2015-05-11
公開日2015-08-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Distinct, Sequence-Induced Conformation Is Required for Recognition of the Constitutive Decay Element RNA by Roquin.
Structure, 23, 2015
2C9X
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Sulfite dehydrogenase from Starkeya Novella Y236F mutant
分子名称: (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, HEME C, SULFATE ION, ...
著者Bailey, S, Kappler, U, Feng, C, Honeychurch, M.J, Bernhardt, P, Tollin, G, Enemark, J.
登録日2005-12-15
公開日2006-08-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Kinetic and Structural Evidence for the Importance of Tyr236 for the Integrity of the Mo Active Site in a Bacterial Sulfite Dehydrogenase.
Biochemistry, 45, 2006
1OKC
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structure of mitochondrial ADP/ATP carrier in complex with carboxyatractyloside
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE, ADP, ...
著者Pebay-Peyroula, E, Dahout-Gonzalez, C, Kahn, R, Trezeguet, V, Lauquin, G.J.-M, Brandolin, G.
登録日2003-07-21
公開日2003-11-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of Mitochondrial Adp/ATP Carrier in Complex with Carboxyatractyloside
Nature, 426, 2003
2EJN
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Structural characterization of the tetrameric form of the major cat allergen fel D 1
分子名称: CALCIUM ION, Major allergen I polypeptide chain 1, chain 2
著者Kaiser, L, Velickovic, T.C, Badia-Martinez, D, Adedoyin, J, Thunberg, S, Hallen, D, Berndt, K, Gronlund, H, Gafvelin, G, van Hage, M, Achour, A.
登録日2007-03-19
公開日2007-04-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural characterization of the tetrameric form of the major cat allergen Fel d 1
J.Mol.Biol., 370, 2007
1Q4X
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Crystal Structure of Human Thyroid Hormone Receptor beta LBD in complex with specific agonist GC-24
分子名称: Thyroid hormone receptor beta-1, [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID
著者Borngraeber, S, Budny, M.J, Chiellini, G, Cunha-Lima, S.T, Togashi, M, Webb, P, Baxter, J.D, Scanlan, T.S, Fletterick, R.J.
登録日2003-08-04
公開日2004-02-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ligand selectivity by seeking hydrophobicity in thyroid hormone receptor.
Proc.Natl.Acad.Sci.USA, 100, 2003
2N2O
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Structure of murine tumour necrosis factor alpha CDE RNA
分子名称: RNA (5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*UP*CP*UP*GP*UP*GP*AP*AP*AP*AP*CP*GP*GP*UP*U)-3')
著者Codutti, L, Leppek, K, Zalesak, J, Windeisen, V, Masiewicz, P, Stoecklin, G, Carlomagno, T.
登録日2015-05-11
公開日2015-08-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Distinct, Sequence-Induced Conformation Is Required for Recognition of the Constitutive Decay Element RNA by Roquin.
Structure, 23, 2015
1J7B
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STRUCTURE OF THE ANABAENA FERREDOXIN MUTANT E94K
分子名称: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I
著者Hurley, J.K, Weber-Main, A.M, Stankovich, M.T, Benning, M.M, Thoden, J.B, Vanhooke, J.L, Holden, H.M, Chae, Y.K, Xia, B, Cheng, H, Markley, J.L, Martinez-Julvez, M, Gomez-Moreno, C, Schmeits, J.L, Tollin, G.
登録日2001-05-16
公開日2001-05-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
2VB5
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Solution structure of W60G mutant of human beta2-microglobulin
分子名称: BETA-2-MICROGLOBULIN
著者Esposito, G, Corazza, A, Rennella, E, Gumral, D, Mimmi, M.C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M, Bellotti, V.
登録日2007-09-06
公開日2007-09-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Controlling Roles of Trp60 and Trp95 in Beta2-Microglobulin Function, Folding and Amyloid Aggregation Properties.
J.Mol.Biol., 378, 2008
1J7C
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STRUCTURE OF THE ANABAENA FERREDOXIN MUTANT E95K
分子名称: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I
著者Hurley, J.K, Weber-Main, A.M, Stankovich, M.T, Benning, M.M, Thoden, J.B, Vanhooke, J.L, Holden, H.M, Chae, Y.K, Xia, B, Cheng, H, Markley, J.L, Martinez-Julvez, M, Gomez-Moreno, C, Schmeits, J.L, Tollin, G.
登録日2001-05-16
公開日2001-05-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997

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