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1YTL
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BU of 1ytl by Molmil
Crystal Structure of Acetyl-CoA decarboxylase/synthase complex epsilon subunit 2
分子名称: Acetyl-CoA decarboxylase/synthase complex epsilon subunit 2
著者Chang, C, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-02-10
公開日2005-03-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Acetyl-CoA decarboxylase/synthase complex epsilon subunit 2 from Archaeoglobus fulgidus
To be Published
6Y91
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BU of 6y91 by Molmil
Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH
分子名称: Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M.
登録日2020-03-06
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Commun Biol, 4, 2021
6YBH
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BU of 6ybh by Molmil
Deoxyribonucleoside Kinase
分子名称: Deoxynucleoside kinase, GLYCEROL, Pyrrolo-dC, ...
著者Allouche-Arnon, H, Bar-Shir, A, Dym, O.
登録日2020-03-17
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expression.
Nat.Biotechnol., 40, 2022
1YN9
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BU of 1yn9 by Molmil
Crystal structure of baculovirus RNA 5'-phosphatase complexed with phosphate
分子名称: PHOSPHATE ION, polynucleotide 5'-phosphatase
著者Changela, A, Martins, A, Shuman, S, Mondragon, A.
登録日2005-01-24
公開日2005-02-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of baculovirus RNA triphosphatase complexed with phosphate
J.Biol.Chem., 280, 2005
6XRV
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BU of 6xrv by Molmil
X-ray structure of the monoclinic crystal form at 1.43 A resolution of lipase from Thermomyces (Humicola) lanuginosa at 173 K
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ...
著者McPherson, A.
登録日2020-07-13
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants
Current Enzyme Inhibition, 16, 2020
6XXN
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BU of 6xxn by Molmil
Crystal structure of NB7, a nanobody targeting prostate specific membrane antigen
分子名称: NB_7_a,b,c,f, NB_7_g, NB_7_h, ...
著者Shahar, A, Rosenfeld, L, Papo, N.
登録日2020-01-28
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer.
J.Med.Chem., 63, 2020
5AP0
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BU of 5ap0 by Molmil
Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
分子名称: 1,2-ETHANEDIOL, 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9-DIHYDRO-8H-PURIN-8-ONE, DIMETHYL SULFOXIDE, ...
著者Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S.
登録日2015-09-14
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
6XLI
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BU of 6xli by Molmil
CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY PT3 Fab+pT212/pT217-TAU PEPTIDE
分子名称: GLYCEROL, PT3 Fab Heavy Chain, PT3 Fab Light Chain, ...
著者Malia, T.J, Teplyakov, A, Luo, J.
登録日2020-06-28
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Functional Characterization of hPT3, a Humanized Anti-Phospho Tau Selective Monoclonal Antibody.
J Alzheimers Dis, 77, 2020
3MNS
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BU of 3mns by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Third stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MO6
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BU of 3mo6 by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Sixth stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MOC
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BU of 3moc by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Eighth stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
8B0S
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BU of 8b0s by Molmil
SARS-COV-2 Main Protease adduct with Au(NHC)Cl
分子名称: 3C-like proteinase nsp5, GOLD ION
著者Massai, L, Grifagni, D, Desantis, A, Geri, A, Calderone, V, Cantini, F, Messori, L, Banci, L.
登録日2022-09-08
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
5AWU
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BU of 5awu by Molmil
Crystal structure of the SGIP1 mu homology domain in complex with an Eps15 fragment containing two DPF motifs (YDPFKGSDPFA)
分子名称: Epidermal growth factor receptor substrate 15, SH3-containing GRB2-like protein 3-interacting protein 1, ZINC ION
著者Shimada, A, Yamaguchi, A, Kohda, D.
登録日2015-07-08
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the recognition of two consecutive mutually interacting DPF motifs by the SGIP1 mu homology domain.
Sci Rep, 6, 2016
1KXJ
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BU of 1kxj by Molmil
The Crystal Structure of Glutamine Amidotransferase from Thermotoga maritima
分子名称: Amidotransferase hisH, PHOSPHATE ION
著者Korolev, S, Skarina, T, Evdokimova, E, Beasley, S, Edwards, A, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2002-01-31
公開日2002-03-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of glutamine amidotransferase from Thermotoga maritima
Proteins, 49, 2002
4BCW
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BU of 4bcw by Molmil
Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid
分子名称: (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Tars, K, Leitans, J, Kazaks, A.
登録日2012-10-03
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sulfocoumarins (1,2-Benzoxathiine-2,2-Dioxides): A Class of Potent and Isoform-Selective Inhibitors of Tumor-Associated Carbonic Anhydrases.
J.Med.Chem., 56, 2013
5CN7
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BU of 5cn7 by Molmil
Ultrafast dynamics in myoglobin: 0.2 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CNE
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BU of 5cne by Molmil
Ultrafast dynamics in myoglobin: 10 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5BVW
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BU of 5bvw by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
分子名称: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
著者Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
登録日2015-06-05
公開日2015-08-05
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5BVK
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BU of 5bvk by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
分子名称: 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea, Epithelial discoidin domain-containing receptor 1, IODIDE ION
著者Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
登録日2015-06-05
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6HPA
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BU of 6hpa by Molmil
Crystal structure of a BA3943 mutant,a CE4 family pseudoenzyme
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative polysaccharide deacetylase, SULFATE ION
著者Molfetas, A, Tomatsidou, N, Kokkinidis, M.
登録日2018-09-20
公開日2019-10-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.554 Å)
主引用文献The resurrection of a dean enzyme
To Be Published
5BVO
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BU of 5bvo by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
分子名称: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
著者Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
登録日2015-06-05
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6XZ3
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BU of 6xz3 by Molmil
Crystal structure of TLNRD1 4-helix bundle
分子名称: 1,2-ETHANEDIOL, Talin rod domain-containing protein 1
著者Cowell, A, Singh, A.K, Brown, D.G, Goult, B.T.
登録日2020-02-01
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Talin rod domain-containing protein 1 (TLNRD1) is a novel actin-bundling protein which promotes filopodia formation.
J.Cell Biol., 220, 2021
8QFW
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BU of 8qfw by Molmil
Murine pyridoxal phosphatase in complex with 7,8-dihydroxyflavone
分子名称: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CITRIC ACID, Chronophin, ...
著者Schindelin, H, Gohla, A.
登録日2023-09-05
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
5C2V
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BU of 5c2v by Molmil
Kuenenia stuttgartiensis Hydrazine Synthase
分子名称: CALCIUM ION, CHLORIDE ION, HEME C, ...
著者Dietl, A, Ferousi, C, Maalcke, W.J, Menzel, A, de Vries, S, Keltjens, J.T, Jetten, M.S.M, Kartal, B, Barends, T.R.M.
登録日2015-06-16
公開日2015-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The inner workings of the hydrazine synthase multiprotein complex.
Nature, 527, 2015
5CAD
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BU of 5cad by Molmil
Crystal structure of the vicilin from Solanum melongena revealed existence of different anionic ligands in structurally similar pockets
分子名称: ACETATE ION, MAGNESIUM ION, PYROGLUTAMIC ACID, ...
著者Jain, A, Kumar, A, Salunke, D.M.
登録日2015-06-29
公開日2016-04-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystal structure of the vicilin from Solanum melongena reveals existence of different anionic ligands in structurally similar pockets
Sci Rep, 6, 2016

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