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6MHF
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BU of 6mhf by Molmil
Galphai3 co-crystallized with GIV/Girdin
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Girdin, ...
著者Rees, S.D, Kalogriopoulos, N.A, Ngo, T, Kopcho, N, Ilatovskiy, A, Sun, N, Komives, E, Chang, G, Ghosh, P, Kufareva, I.
登録日2018-09-17
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for GPCR-independent activation of heterotrimeric Gi proteins.
Proc.Natl.Acad.Sci.USA, 116, 2019
5V5X
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BU of 5v5x by Molmil
Protocadherin gammaB7 EC3-6 cis-dimer structure
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
登録日2017-03-15
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Protocadherin cis-dimer architecture and recognition unit diversity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6G4G
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BU of 6g4g by Molmil
Full length ectodomain of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) including the SMB domains but with a partially disordered active site structure
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, CALCIUM ION, ...
著者Dohler, C, Zebisch, M, Strater, N.
登録日2018-03-27
公開日2018-11-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallization of ectonucleotide phosphodiesterase/pyrophosphatase-3 and orientation of the SMB domains in the full-length ectodomain.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6VBZ
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BU of 6vbz by Molmil
Crystal structure of the rat MLKL pseudokinase domain
分子名称: MANGANESE (II) ION, Mixed lineage kinase domain-like pseudokinase
著者Davies, K.A, Czabotar, P.E.
登録日2019-12-19
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues.
Nat Commun, 11, 2020
6PJ7
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BU of 6pj7 by Molmil
Time-resolved structural snapshot of proteolysis by GlpG inside the membrane
分子名称: Peptide aldehyde inhibitor, Rhomboid protease GlpG
著者Urban, S, Cho, S.
登録日2019-06-28
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release.
Nat.Struct.Mol.Biol., 26, 2019
6Y5O
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BU of 6y5o by Molmil
The crystal structure of glycogen phosphorylase in complex with 20
分子名称: 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form
著者Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D.
登録日2020-02-25
公開日2020-08-19
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
8KFQ
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BU of 8kfq by Molmil
The crystal structure of EGFR(T797M/L858R) with small molecule inhibitor B6
分子名称: Epidermal growth factor receptor, SULFATE ION, ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
著者Wu, C, Ouyang, L.
登録日2023-08-16
公開日2024-08-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Structure of EGFR(T979M/L858R) with small molecule inhibitor B6
To Be Published
6MJE
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BU of 6mje by Molmil
Structure of Candida glabrata Csm1: S. cerevisiae Dsn1 complex
分子名称: Dsn1p, Monopolin complex subunit CSM1
著者Singh, N, Corbett, K.D.
登録日2018-09-20
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The molecular basis of monopolin recruitment to the kinetochore.
Chromosoma, 128, 2019
5DJ7
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BU of 5dj7 by Molmil
S. erythraea trypsin acyl-enzyme
分子名称: Trypsin
著者Blankenship, E, Lodowski, D.T.
登録日2015-09-01
公開日2017-03-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (0.87 Å)
主引用文献High resolution structures of S. erythraeus trypsin throughout the catalytic cycle
To be Published
6YA6
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BU of 6ya6 by Molmil
Minimal construct of Cdc7-Dbf4 bound to XL413
分子名称: 8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one, BORIC ACID, CHLORIDE ION, ...
著者Dick, S.D, Cherepanov, P.
登録日2020-03-11
公開日2020-05-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural Basis for the Activation and Target Site Specificity of CDC7 Kinase.
Structure, 28, 2020
6PBJ
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BU of 6pbj by Molmil
The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase with Gly190Pro mutation
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Jiao, W, Fan, Y, Blackmore, N.J, Parker, E.J.
登録日2019-06-13
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A single amino acid substitution uncouples catalysis and allostery in an essential biosynthetic enzyme in Mycobacterium tuberculosis .
J.Biol.Chem., 295, 2020
6G66
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BU of 6g66 by Molmil
Crystal structure of a parallel seven-helix coiled coil CC-Type2-IV
分子名称: CC-Type2-IV, GLYCEROL
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
7CC2
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BU of 7cc2 by Molmil
Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
分子名称: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
著者Anantharajan, J, Baburajendran, N.
登録日2020-06-16
公開日2021-06-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.723 Å)
主引用文献Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6PJV
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BU of 6pjv by Molmil
Structure of Human Sonic Hedgehog in complex with Zinc and Magnesium
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Bonn-Breach, R.B, Jenkins, J.L, Wedekind, J.E.
登録日2019-06-28
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structure of Sonic Hedgehog protein in complex with zinc(II) and magnesium(II) reveals ion-coordination plasticity relevant to peptide drug design.
Acta Crystallogr D Struct Biol, 75, 2019
6G6B
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BU of 6g6b by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-LL-L17Q
分子名称: CC-Type2-LL-L17Q
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6F
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BU of 6g6f by Molmil
Crystal structure of a parallel eight-helix coiled coil CC-Type2-LF
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-LF
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6I
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BU of 6g6i by Molmil
MamM CTD W247A
分子名称: BETA-MERCAPTOETHANOL, Magnetosome protein MamM
著者Barber-Zucker, S, Zarivach, R.
登録日2018-04-01
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Metal binding to the dynamic cytoplasmic domain of the cation diffusion facilitator (CDF) protein MamM induces a 'locked-in' configuration.
Febs J., 286, 2019
7CB4
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BU of 7cb4 by Molmil
Crystal structures of of BlAsnase
分子名称: FORMIC ACID, GLYCEROL, L-asparaginase, ...
著者Lu, F, Ran, T, Jiao, L, Wang, W.
登録日2020-06-10
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
6PBR
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BU of 6pbr by Molmil
Catalytic domain of E.coli dihydrolipoamide succinyltransferase in I4 space group
分子名称: Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, SODIUM ION
著者Andi, B, Soares, A.S, Shi, W, Fuchs, M.R, McSweeney, S, Liu, Q.
登録日2019-06-14
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the dihydrolipoamide succinyltransferase catalytic domain from Escherichia coli in a novel crystal form: a tale of a common protein crystallization contaminant.
Acta Crystallogr.,Sect.F, 75, 2019
6MKA
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BU of 6mka by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the open conformation
分子名称: SULFATE ION, penicillin binding protein 5 (PBP5)
著者Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
登録日2018-09-25
公開日2018-10-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
5DH1
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BU of 5dh1 by Molmil
Structure of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca in P21
分子名称: siderophore periplasmic binding protein
著者Li, K, Bruner, S.D.
登録日2015-08-29
公開日2015-11-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.842 Å)
主引用文献Structure and functional analysis of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca.
Proteins, 84, 2016
8KH3
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BU of 8kh3 by Molmil
Crystal Structure of Kemp Eliminase HG3.17 in complexed with 5-cyanobenzotriazole
分子名称: 1H-benzotriazole-5-carbonitrile, Kemp Eliminase HG3.17, SULFATE ION
著者Bunzel, A, Mori, T, Hilvert, D.
登録日2023-08-21
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolution of preorganized electric fields boosts catalysis in a designer enzyme
To Be Published
6MRV
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BU of 6mrv by Molmil
Sialidase26 co-crystallized with DANA
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase26
著者Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K.
登録日2018-10-15
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
7C9B
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BU of 7c9b by Molmil
Crystal structure of dipeptidase-E from Xenopus laevis
分子名称: Alpha-aspartyl dipeptidase, CALCIUM ION, SODIUM ION
著者Kumar, A, Singh, R, Makde, R.D.
登録日2020-06-05
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of aspartyl dipeptidase from Xenopus laevis revealed ligand binding induced loop ordering and catalytic triad assembly.
Proteins, 90, 2022
6G6N
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BU of 6g6n by Molmil
Crystal structure of the computationally designed Tako8 protein in C2
分子名称: Tako8
著者Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D.
登録日2018-04-01
公開日2018-11-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019

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