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6PIA
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BU of 6pia by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide
Descriptor: 1,2-ETHANEDIOL, 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, Acetylpolyamine amidohydrolase, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-06-26
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6MHF
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BU of 6mhf by Molmil
Galphai3 co-crystallized with GIV/Girdin
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Girdin, ...
Authors:Rees, S.D, Kalogriopoulos, N.A, Ngo, T, Kopcho, N, Ilatovskiy, A, Sun, N, Komives, E, Chang, G, Ghosh, P, Kufareva, I.
Deposit date:2018-09-17
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for GPCR-independent activation of heterotrimeric Gi proteins.
Proc.Natl.Acad.Sci.USA, 116, 2019
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
Descriptor: 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, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2018-03-27
Release date:2018-11-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
6PJ7
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BU of 6pj7 by Molmil
Time-resolved structural snapshot of proteolysis by GlpG inside the membrane
Descriptor: Peptide aldehyde inhibitor, Rhomboid protease GlpG
Authors:Urban, S, Cho, S.
Deposit date:2019-06-28
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form
Authors:Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2020-02-25
Release date:2020-08-19
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
6VBZ
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BU of 6vbz by Molmil
Crystal structure of the rat MLKL pseudokinase domain
Descriptor: MANGANESE (II) ION, Mixed lineage kinase domain-like pseudokinase
Authors:Davies, K.A, Czabotar, P.E.
Deposit date:2019-12-19
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues.
Nat Commun, 11, 2020
8KFQ
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BU of 8kfq by Molmil
The crystal structure of EGFR(T797M/L858R) with small molecule inhibitor B6
Descriptor: Epidermal growth factor receptor, SULFATE ION, ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
Authors:Wu, C, Ouyang, L.
Deposit date:2023-08-16
Release date:2024-08-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structure of EGFR(T979M/L858R) with small molecule inhibitor B6
To Be Published
6YA6
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BU of 6ya6 by Molmil
Minimal construct of Cdc7-Dbf4 bound to XL413
Descriptor: 8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one, BORIC ACID, CHLORIDE ION, ...
Authors:Dick, S.D, Cherepanov, P.
Deposit date:2020-03-11
Release date:2020-05-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural Basis for the Activation and Target Site Specificity of CDC7 Kinase.
Structure, 28, 2020
6MJE
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BU of 6mje by Molmil
Structure of Candida glabrata Csm1: S. cerevisiae Dsn1 complex
Descriptor: Dsn1p, Monopolin complex subunit CSM1
Authors:Singh, N, Corbett, K.D.
Deposit date:2018-09-20
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Trypsin
Authors:Blankenship, E, Lodowski, D.T.
Deposit date:2015-09-01
Release date:2017-03-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:High resolution structures of S. erythraeus trypsin throughout the catalytic cycle
To be Published
6PBJ
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BU of 6pbj by Molmil
The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase with Gly190Pro mutation
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:Jiao, W, Fan, Y, Blackmore, N.J, Parker, E.J.
Deposit date:2019-06-13
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: CC-Type2-IV, GLYCEROL
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2018-04-01
Release date:2018-10-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2020-06-16
Release date:2021-06-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.723 Å)
Cite: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
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Bonn-Breach, R.B, Jenkins, J.L, Wedekind, J.E.
Deposit date:2019-06-28
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.43 Å)
Cite: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
Descriptor: CC-Type2-LL-L17Q
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2018-04-01
Release date:2018-10-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-LF
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2018-04-01
Release date:2018-10-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: BETA-MERCAPTOETHANOL, Magnetosome protein MamM
Authors:Barber-Zucker, S, Zarivach, R.
Deposit date:2018-04-01
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: FORMIC ACID, GLYCEROL, L-asparaginase, ...
Authors:Lu, F, Ran, T, Jiao, L, Wang, W.
Deposit date:2020-06-10
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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
Descriptor: Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, SODIUM ION
Authors:Andi, B, Soares, A.S, Shi, W, Fuchs, M.R, McSweeney, S, Liu, Q.
Deposit date:2019-06-14
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.698 Å)
Cite: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
Descriptor: siderophore periplasmic binding protein
Authors:Li, K, Bruner, S.D.
Deposit date:2015-08-29
Release date:2015-11-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.842 Å)
Cite: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
Descriptor: 1H-benzotriazole-5-carbonitrile, Kemp Eliminase HG3.17, SULFATE ION
Authors:Bunzel, A, Mori, T, Hilvert, D.
Deposit date:2023-08-21
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase26
Authors: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.
Deposit date:2018-10-15
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
6G6N
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BU of 6g6n by Molmil
Crystal structure of the computationally designed Tako8 protein in C2
Descriptor: Tako8
Authors:Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D.
Deposit date:2018-04-01
Release date:2018-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
7C9B
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BU of 7c9b by Molmil
Crystal structure of dipeptidase-E from Xenopus laevis
Descriptor: Alpha-aspartyl dipeptidase, CALCIUM ION, SODIUM ION
Authors:Kumar, A, Singh, R, Makde, R.D.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of aspartyl dipeptidase from Xenopus laevis revealed ligand binding induced loop ordering and catalytic triad assembly.
Proteins, 90, 2022

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數據於2024-11-06公開中

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