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7VJ0
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class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (1 us time-point)
分子名称: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJA
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class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (10 ns time-point)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
6HKW
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Crystal structure of human SDS22
分子名称: Protein phosphatase 1 regulatory subunit 7, SULFATE ION
著者Heroes, E, Choy, M.S, Page, R, Peti, W, Ulens, C, Van Meervelt, L, Nys, M, Bollen, M.
登録日2018-09-09
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structure-Guided Exploration of SDS22 Interactions with Protein Phosphatase PP1 and the Splicing Factor BCLAF1.
Structure, 27, 2019
7VIX
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class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (10 ns time-point)
分子名称: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ7
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SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the fully reduced state
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJJ
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class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (30 us time-point)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
4ZF8
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Cytochrome P450 pentamutant from BM3 with bound Metyrapone
分子名称: Bifunctional P-450/NADPH-P450 reductase, METYRAPONE, NICKEL (II) ION, ...
著者Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
登録日2015-04-21
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.766 Å)
主引用文献Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
6N9J
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BU of 6n9j by Molmil
X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron in complex with an irreversible peptide inhibitor
分子名称: Clostripain-related protein, Covalently bound peptide inhibitor
著者Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
登録日2018-12-03
公開日2019-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献X-ray Structures of Two Bacteroides thetaiotaomicron C11 Proteases in Complex with Peptide-Based Inhibitors.
Biochemistry, 58, 2019
4BUJ
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BU of 4buj by Molmil
Crystal structure of the S. cerevisiae Ski2-3-8 complex
分子名称: ANTIVIRAL HELICASE SKI2, ANTIVIRAL PROTEIN SKI8, SULFATE ION, ...
著者Halbach, F, Reichelt, P, Rode, M, Conti, E.
登録日2013-06-20
公開日2013-08-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献The Yeast Ski Complex: Crystal Structure and RNA Channeling to the Exosome Complex.
Cell(Cambridge,Mass.), 154, 2013
8F4R
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Gentamicin bound aminoglycoside efflux pump AcrD
分子名称: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Efflux pump membrane transporter
著者Zhang, Z.
登録日2022-11-11
公開日2022-12-28
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Cryo-EM Structures of AcrD Illuminate a Mechanism for Capturing Aminoglycosides from Its Central Cavity.
Mbio, 14, 2023
7ZYA
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BU of 7zya by Molmil
Structure of Chit33 from Trichoderma harzianum.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endochitinase 33, ...
著者Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2022-05-24
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material.
Int J Mol Sci, 23, 2022
8A43
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Human RNA polymerase I
分子名称: DNA-directed RNA polymerase I subunit RPA1, DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA2, ...
著者Daiss, J.L, Pilsl, M, Straub, K, Bleckmann, A, Hoecherl, M, Heiss, F.B, Abascal-Palacios, G, Ramsay, E, Tluckova, K, Mars, J.C, Fuertges, T, Bruckmann, A, Rudack, T, Bernecky, C, Lamour, V, Panov, K, Vannini, A, Moss, T, Engel, C.
登録日2022-06-10
公開日2022-08-31
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (4.09 Å)
主引用文献The human RNA polymerase I structure reveals an HMG-like docking domain specific to metazoans.
Life Sci Alliance, 5, 2022
5BSI
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BU of 5bsi by Molmil
Crystal structure of Y36A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
著者Pantouris, G, Lolis, E.
登録日2015-06-02
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
3HP6
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BU of 3hp6 by Molmil
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus F710Y mutant bound to G:T mismatch
分子名称: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*CP*GP*CP*CP*GP*TP*GP*AP*TP*CP*G)-3', 5'-D(*CP*GP*AP*TP*CP*AP*CP*GP*(DDG))-3', ...
著者Wu, E.Y, Beese, L.S.
登録日2009-06-03
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The structure of a high fidelity DNA polymerase bound to a mismatched nucleotide reveals an "ajar" intermediate conformation in the nucleotide selection mechanism.
J.Biol.Chem., 286, 2011
6ANU
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Cryo-EM structure of F-actin complexed with the beta-III-spectrin actin-binding domain
分子名称: Actin, cytoplasmic 1, Spectrin beta chain, ...
著者Wang, F, Orlova, A, Avery, A.W, Hays, T.S, Egelman, E.H.
登録日2017-08-14
公開日2017-11-22
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Structural basis for high-affinity actin binding revealed by a beta-III-spectrin SCA5 missense mutation.
Nat Commun, 8, 2017
1AT1
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BU of 1at1 by Molmil
CRYSTAL STRUCTURES OF PHOSPHONOACETAMIDE LIGATED T AND PHOSPHONOACETAMIDE AND MALONATE LIGATED R STATES OF ASPARTATE CARBAMOYLTRANSFERASE AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H
分子名称: ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ASPARTATE CARBAMOYLTRANSFERASE, CATALYTIC CHAIN, ...
著者Gouaux, J.E, Lipscomb, W.N.
登録日1989-09-22
公開日1990-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of phosphonoacetamide ligated T and phosphonoacetamide and malonate ligated R states of aspartate carbamoyltransferase at 2.8-A resolution and neutral pH.
Biochemistry, 29, 1990
5I74
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X-ray structure of the ts3 human serotonin transporter complexed with Br-citalopram at the central site
分子名称: (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, ...
著者Coleman, J.A, Green, E.M, Gouaux, E.
登録日2016-02-16
公開日2016-04-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.395 Å)
主引用文献X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
6GFY
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pVHL:EloB:EloC in complex with modified VH032 containing (3R,4S)-3-fluoro-4-hydroxyproline (ligand 14a)
分子名称: (2~{R},3~{R},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Testa, A, Ciulli, A.
登録日2018-05-02
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.
J. Am. Chem. Soc., 140, 2018
8A3G
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X-ray crystal structure of a de novo designed antiparallel coiled-coil homotetramer with 4 heptad repeats, apCC-Tet*
分子名称: ACETATE ION, SODIUM ION, apCC-Tet*
著者Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N.
登録日2022-06-08
公開日2022-10-05
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles.
Chem Sci, 13, 2022
6TQJ
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BU of 6tqj by Molmil
Crystal structure of the c14 ring of the F1FO ATP synthase from spinach chloroplast
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ATP synthase subunit c, chloroplastic, ...
著者Kovalev, K, Gushchin, I, Vlasov, A, Round, E, Polovinkin, V, Gordeliy, V.
登録日2019-12-16
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Unusual features of the c-ring of F1FOATP synthases.
Sci Rep, 9, 2019
2AID
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BU of 2aid by Molmil
STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN
分子名称: 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL, CHLORIDE ION, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE
著者Rutenber, E.E, Fauman, E.B, Keenan, R.J, Stroud, R.M.
登録日1997-04-17
公開日1997-10-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design.
J.Biol.Chem., 268, 1993
8B3E
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Variant Surface Glycoprotein VSG397
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein 397
著者Zeelen, J.P, Stebbins, C.E, Dakovic, S, Foti, K.
登録日2022-09-16
公開日2023-01-25
最終更新日2023-04-19
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
Plos Negl Trop Dis, 17, 2023
5I71
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BU of 5i71 by Molmil
X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site
分子名称: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, ...
著者Coleman, J.A, Green, E.M, Gouaux, E.
登録日2016-02-16
公開日2016-04-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
8PDE
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Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif
分子名称: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), HDAC4 (histone deacetylase 4) binding motif peptide:GSGEVKMKLQEFVLNKK, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-06-12
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
4ER0
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Crystal Structure of human DOT1L in complex with inhibitor FED1
分子名称: 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012

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