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4QO4
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co-crystal structure of MDM2 (17-111) with compound 16, {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-(6-CYCLOPROPYLPYRIDIN-2-YL)PROPYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2014-06-19
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Potent and Simplified Piperidinone-Based Inhibitors of the MDM2-p53 Interaction.
ACS Med Chem Lett, 5, 2014
7T3T
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IP3, ATP, and Ca2+ bound type 3 IP3 receptor in the active state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ...
著者Schmitz, E.A, Takahashi, H, Karakas, E.
登録日2021-12-08
公開日2022-03-23
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
2B71
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Plasmodium yoelii cyclophilin-like protein
分子名称: CHLORIDE ION, cyclophilin-like protein
著者Dong, A, Finerty, P, Wasney, G, Vedadi, M, Lew, J, Zhao, Y, Kozieradzki, I, Melone, M, Alam, Z, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2005-10-03
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
4IJP
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Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine
分子名称: 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-22
公開日2013-08-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
7T3U
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IP3, ATP, and Ca2+ bound type 3 IP3 receptor in the inactive state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ...
著者Schmitz, E.A, Takahashi, H, Karakas, E.
登録日2021-12-08
公開日2022-03-23
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
7Q0E
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Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
分子名称: BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-10-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7Q0C
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Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate
分子名称: ACETATE ION, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-10-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7T3R
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BU of 7t3r by Molmil
IP3 and ATP bound type 3 IP3 receptor in the pre-active C state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ...
著者Schmitz, E.A, Takahashi, H, Karakas, E.
登録日2021-12-08
公開日2022-03-23
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
4QPL
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BU of 4qpl by Molmil
Crystal structure of RNF146(RING-WWE)/UbcH5a/iso-ADPr complex
分子名称: 2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate), E3 ubiquitin-protein ligase RNF146, Ubiquitin-conjugating enzyme E2 D1, ...
著者Wang, Z, DaRosa, P.A, Klevit, R.E, Xu, W.
登録日2014-06-23
公開日2014-10-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric activation of the RNF146 ubiquitin ligase by a poly(ADP-ribosyl)ation signal.
Nature, 517, 2015
6D7S
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BU of 6d7s by Molmil
Cryo-EM structure of human TRPV6-Y467A in amphipols
分子名称: Transient receptor potential cation channel subfamily V member 6
著者Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I.
登録日2018-04-25
公開日2018-07-18
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (4.34 Å)
主引用文献Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB.
Nat Commun, 9, 2018
4Q2R
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Structural Proteomics From Crude Native Rod Outer Segments
分子名称: Creatine kinase B-type, SULFATE ION
著者Baker, B.Y, Shi, W, Palczewski, K.
登録日2014-04-09
公開日2014-09-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Proteomics From Crude Native Rod Outer Segments
To be Published
6U4B
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WbbM bifunctional glycosytransferase apo structure
分子名称: MAGNESIUM ION, WbbM protein
著者Kimber, M.S, Mallette, E, Kamski-Hennekam, E.R, Gitalis, R.
登録日2019-08-25
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A bifunctional O-antigen polymerase structure reveals a new glycosyltransferase family.
Nat.Chem.Biol., 16, 2020
7W5M
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BU of 7w5m by Molmil
Crystal structure of AtNASP in complex of H3 alpha3 helix peptide
分子名称: GLYCEROL, H3 alpha3 helix peptide, SULFATE ION, ...
著者Liu, Y, Bao, H.
登録日2021-11-30
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for histone H3 recognition by NASP in Arabidopsis.
J Integr Plant Biol, 64, 2022
6D68
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BU of 6d68 by Molmil
Ube2G1 in complex with ubiquitin variant Ubv.G1.1
分子名称: Ubiquitin-conjugating enzyme E2 G1, Ubv.G1.1
著者Ceccarelli, D.F, Garg, P, Sidhu, S, Sicheri, F.
登録日2018-04-20
公開日2019-07-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural and Functional Analysis of Ubiquitin-based Inhibitors That Target the Backsides of E2 Enzymes.
J.Mol.Biol., 432, 2020
4Q4B
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Crystal structure of LIMP-2 (space group C2221)
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, Lysosome membrane protein 2, ...
著者Zhao, Y, Ren, J, Padilla-Parra, S, Fry, L.E, Stuart, D.I.
登録日2014-04-14
公開日2014-07-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Lysosome sorting of beta-glucocerebrosidase by LIMP-2 is targeted by the mannose 6-phosphate receptor.
Nat Commun, 5, 2014
4ZKH
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BU of 4zkh by Molmil
Crystal structure of the PmFTN variant E44Q soaked in iron (overnight)
分子名称: FE (III) ION, Ferritin
著者Pfaffen, S, Murphy, M.E.P.
登録日2015-04-30
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Diatom Ferritin Optimized for Iron Oxidation but Not Iron Storage.
J.Biol.Chem., 290, 2015
6D9Q
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BU of 6d9q by Molmil
The sulfate-bound crystal structure of HPRT (hypoxanthine phosphoribosyltransferase)
分子名称: GLYCEROL, Hypoxanthine phosphoribosyltransferase, SULFATE ION
著者Satyshur, K.A, Dubiel, K, Anderson, B, Wolak, C, Keck, J.L.
登録日2018-04-30
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.056 Å)
主引用文献Evolution of (p)ppGpp-HPRT regulation through diversification of an allosteric oligomeric interaction.
Elife, 8, 2019
4Q5U
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BU of 4q5u by Molmil
Structure of calmodulin bound to its recognition site from calcineurin
分子名称: CALCIUM ION, Calmodulin, Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform
著者Guo, H, Dunlap, T.B, Creamer, T.P, Vander Kooi, C.W.
登録日2014-04-17
公開日2014-09-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Stoichiometry of the calcineurin regulatory domain-calmodulin complex.
Biochemistry, 53, 2014
4ZKX
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BU of 4zkx by Molmil
Crystal structure of the PmFTN variant E44Q soaked in iron (5 min)
分子名称: FE (III) ION, Ferritin
著者Pfaffen, S, Murphy, M.E.P.
登録日2015-04-30
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Diatom Ferritin Optimized for Iron Oxidation but Not Iron Storage.
J.Biol.Chem., 290, 2015
6U51
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Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB) Complexed with Sudan ebolavirus Nucleoprotein C-terminal Domain 610-738
分子名称: Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB), Nucleoprotein
著者Taylor, A.B, Sherwood, L.J, Hart, P.J, Hayhurst, A.
登録日2019-08-26
公開日2019-11-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Paratope Duality and Gullying are Among the Atypical Recognition Mechanisms Used by a Trio of Nanobodies to Differentiate Ebolavirus Nucleoproteins.
J.Mol.Biol., 431, 2019
6U5D
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BU of 6u5d by Molmil
RT XFEL structure of CypA solved using LCP injection system
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Young, I.D, Sierra, R.G, Brewster, A.S, Koralek, J.D, Boutet, S, Sauter, N.K, Fraser, J.S, Thompson, M.C.
登録日2019-08-27
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
7SV1
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Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
著者Combs, J.E, McKenna, R.
登録日2021-11-18
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.559 Å)
主引用文献The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SV8
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Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
著者Combs, J.E, McKenna, R.
登録日2021-11-18
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.388 Å)
主引用文献The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
4Q9Y
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Crystal structure of 3-methylthiophenol bound to human carbonic anhydrase II
分子名称: 3-methylbenzenethiol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-05-02
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4IO0
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Crystal structure of F128A mutant of an epoxide hydrolase from Bacillus megaterium complexed with its product (R)-3-[1]naphthyloxy-propane-1,2-diol
分子名称: (2R)-3-(naphthalen-1-yloxy)propane-1,2-diol, SULFATE ION, Soluble epoxide hydrolase
著者Kong, X.D, Zhou, J.H, Xu, J.H.
登録日2013-01-07
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014

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