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6IVK
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BU of 6ivk by Molmil
Crystal structure of a membrane protein G175A
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
5M9M
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BU of 5m9m by Molmil
Human angiogenin PD variant Q77P
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Angiogenin, ...
Authors:Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
Deposit date:2016-11-01
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
6ISW
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BU of 6isw by Molmil
Structure of human telomeric DNA with 5-selenophene-modified deoxyuridine at residue 12
Descriptor: DNA (22-MER), POTASSIUM ION
Authors:Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I.
Deposit date:2018-11-19
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
6ITO
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BU of 6ito by Molmil
Crystal structure of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, AMP and inhibitor Ribose 5-Phosphate
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, OXALATE ION, ...
Authors:Zhong, W, Cai, Q, El Sahili, A, Mu, Y, Lescar, J, Dedon, P.C.
Deposit date:2018-11-24
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Pyruvate Kinase Regulates the Pentose-Phosphate Pathway in Response to Hypoxia in Mycobacterium tuberculosis.
J.Mol.Biol., 431, 2019
6IVW
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BU of 6ivw by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation D269A
Descriptor: Bestrophin homolog, ZINC ION
Authors:Kittredge, A, Chen, S, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
5DDS
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BU of 5dds by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PLP
Descriptor: ACETIC ACID, CrmG, GLYCEROL, ...
Authors:Xu, J, Feng, Z, Liu, J.
Deposit date:2015-08-25
Release date:2016-08-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Acs Chem.Biol., 11, 2016
5M7I
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BU of 5m7i by Molmil
Crystal structure of GH125 1,6-alpha-mannosidase mutant from Clostridium perfringens in complex with 1,6-alpha-mannobiose
Descriptor: alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose, exo-alpha-1,6-mannosidase
Authors:Males, A, Alonso-Gil, S, Fernandes, P, Williams, S.J, Rovira, C, Davies, G.J.
Deposit date:2016-10-27
Release date:2016-11-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases.
J. Am. Chem. Soc., 139, 2017
5VAR
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BU of 5var by Molmil
Crystal structure of KDM4A tandem TUDOR domain in complex with a tri-methyl lysine competitive inhibitor
Descriptor: (1R,2S,3R,4S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol, Lysine-specific demethylase 4A
Authors:Judge, R.A, Upadhyay, A.K.
Deposit date:2017-03-27
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Targeting lysine specific demethylase 4A (KDM4A) tandem TUDOR domain - A fragment based approach.
Bioorg. Med. Chem. Lett., 28, 2018
5M7S
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BU of 5m7s by Molmil
Structure of human O-GlcNAc hydrolase with bound transition state analog ThiametG
Descriptor: (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, Protein O-GlcNAcase
Authors:Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
6IV4
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BU of 6iv4 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation W252F
Descriptor: Bestrophin homolog, ZINC ION
Authors:Kittredge, A, Chen, S, Yang, T.
Deposit date:2018-12-02
Release date:2019-11-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6IVR
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BU of 6ivr by Molmil
Crystal structure of a membrane protein W16A
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
5UO1
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BU of 5uo1 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile
Descriptor: 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
5D05
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BU of 5d05 by Molmil
Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Lys107Ala variant regulated
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:Heyes, L.C, Parker, E.J.
Deposit date:2015-08-02
Release date:2016-08-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Lys107Ala variant regulated at 1.75 Angstroms resolution
To Be Published
5M9R
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BU of 5m9r by Molmil
Human angiogenin ALS variant F100I
Descriptor: Angiogenin, D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
Deposit date:2016-11-02
Release date:2017-02-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5MCH
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BU of 5mch by Molmil
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 9.75 MGy
Descriptor: Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION
Authors:Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F.
Deposit date:2016-11-09
Release date:2017-01-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
6I5S
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BU of 6i5s by Molmil
AH, Bottromycin amidohydrolase
Descriptor: CHLORIDE ION, GLYCEROL, ZINC ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2018-11-14
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Thiazoline-Specific Amidohydrolase PurAH Is the Gatekeeper of Bottromycin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
5MAW
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BU of 5maw by Molmil
Crystal structure of the flagellin-FliS complex from Bacillus subtilis
Descriptor: Flagellar protein FliS, Flagellin
Authors:Altegoer, F, Bange, G.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:FliS/flagellin/FliW heterotrimer couples type III secretion and flagellin homeostasis.
Sci Rep, 8, 2018
5D2D
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BU of 5d2d by Molmil
Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768
Descriptor: 14-3-3 protein zeta/delta, CHLORIDE ION, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Stevers, L.M, Leysen, S.F.R, Ottmann, C.
Deposit date:2015-08-05
Release date:2016-03-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization and small-molecule stabilization of the multisite tandem binding between 14-3-3 and the R domain of CFTR.
Proc.Natl.Acad.Sci.USA, 113, 2016
6I6W
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BU of 6i6w by Molmil
Circular permutant of ribosomal protein S6, adding 6aa to C terminal of P68-69
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I78
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BU of 6i78 by Molmil
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 5
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
5DH2
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BU of 5dh2 by Molmil
Structure of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca in I222
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 (2.59 Å)
Cite:Structure and functional analysis of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca.
Proteins, 84, 2016
6I7G
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BU of 6i7g by Molmil
Crystal structure of dimeric wild type FICD complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, DI(HYDROXYETHYL)ETHER, ...
Authors:Perera, L.A, Yan, Y, Read, R.J, Ron, D.
Deposit date:2018-11-16
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP.
Embo J., 38, 2019
6I5Z
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BU of 6i5z by Molmil
Papaver somniferum O-methyltransferase
Descriptor: O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE
Authors:Davies, G.J, Cabry, M.P, Offen, W.A.
Deposit date:2018-11-15
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
5ME3
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BU of 5me3 by Molmil
Structure of the Scc2 C-terminus
Descriptor: Scc2 unassigned sequence, Sister chromatid cohesion protein 2, unassigned sequence of Scc2
Authors:Chao, W.C.H, Singleton, M.R.
Deposit date:2016-11-14
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of the cohesin loader Scc2.
Nat Commun, 8, 2017
5URV
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BU of 5urv by Molmil
Crystal structure of Frizzled 7 CRD in complex with C24 fatty acid
Descriptor: (15E)-TETRACOS-15-ENOIC ACID, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mukund, S, Nile, A.H, Stanger, K, Hannoush, R.N, Wang, W.
Deposit date:2017-02-13
Release date:2017-05-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unsaturated fatty acyl recognition by Frizzled receptors mediates dimerization upon Wnt ligand binding.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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數據於2024-11-06公開中

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