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5SXT
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BU of 5sxt by Molmil
Crystal structure of the S324T variant of Burkholderia pseudomallei KatG with isonicotinic acid hydrazide bound
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-10
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases.
J. Biol. Chem., 285, 2010
5UEY
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BU of 5uey by Molmil
BRD4_BD2_A-1412838
Descriptor: 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5VBX
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BU of 5vbx by Molmil
Crystal structure of holo-[acyl-carrier-protein] synthase (AcpS) from Escherichia coli
Descriptor: 1,2-ETHANEDIOL, Holo-[acyl-carrier-protein] synthase, SODIUM ION
Authors:Marcella, A.M, Barb, A.W.
Deposit date:2017-03-30
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure, High Affinity, and Negative Cooperativity of the Escherichia coli Holo-(Acyl Carrier Protein):Holo-(Acyl Carrier Protein) Synthase Complex.
J. Mol. Biol., 429, 2017
5V8Z
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BU of 5v8z by Molmil
Crystal structure of ERp29 D-domain in complex with the P-domain of calmegin
Descriptor: Calmegin, Endoplasmic reticulum resident protein 29
Authors:Kozlov, G, Munoz-Escobar, J, Gehring, K.
Deposit date:2017-03-22
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Mapping the ER Interactome: The P Domains of Calnexin and Calreticulin as Plurivalent Adapters for Foldases and Chaperones.
Structure, 25, 2017
5UVD
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BU of 5uvd by Molmil
Crystal structure of an antigenic nucleotidyltransferase-like protein from Paracoccidioides brasiliensis
Descriptor: MAGNESIUM ION, Nucleotidyltransferase-like protein
Authors:Nagem, R.A.P, Costa, M.A.F, Rodrigues, F.T.G, Coitinho, J.B.C.
Deposit date:2017-02-20
Release date:2018-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural and immunological characterization of a new nucleotidyltransferase-like antigen from Paracoccidioides brasiliensis.
Mol.Immunol., 112, 2019
5UP5
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BU of 5up5 by Molmil
Solution structure of the de novo mini protein EHEE_rd1_0284
Descriptor: EHEE_rd1_0284
Authors:Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H.
Deposit date:2017-02-01
Release date:2017-07-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
5V3I
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BU of 5v3i by Molmil
Crystal structure of the VS ribozyme - wild-type C634
Descriptor: VS Ribozyme RNA
Authors:DasGupta, S, Suslov, N.B, Piccirilli, J.A.
Deposit date:2017-03-07
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.293 Å)
Cite:Structural Basis for Substrate Helix Remodeling and Cleavage Loop Activation in the Varkud Satellite Ribozyme.
J. Am. Chem. Soc., 139, 2017
5V90
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BU of 5v90 by Molmil
Crystal structure of ERp29 D-domain in complex with the P-domain of calreticulin
Descriptor: Calreticulin, Endoplasmic reticulum resident protein 29, GLYCEROL
Authors:Kozlov, G, Munoz-Escobar, J, Gehring, K.
Deposit date:2017-03-22
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.255 Å)
Cite:Mapping the ER Interactome: The P Domains of Calnexin and Calreticulin as Plurivalent Adapters for Foldases and Chaperones.
Structure, 25, 2017
5VA9
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BU of 5va9 by Molmil
Human pancreatic alpha amylase in complex with peptide inhibitor piHA-L5(d10Y)
Descriptor: CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ...
Authors:Caner, S, Brayer, G.D.
Deposit date:2017-03-24
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Folding Then Binding vs Folding Through Binding in Macrocyclic Peptide Inhibitors of Human Pancreatic alpha-Amylase.
Acs Chem.Biol., 14, 2019
5T7L
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BU of 5t7l by Molmil
Pt(II)-mediated copper-dependent interactions between ATOX1 and MNK1
Descriptor: COPPER (II) ION, Copper transport protein ATOX1, Copper-transporting ATPase 1, ...
Authors:Caliandro, R, Mirabelli, V, Caliandro, R, Rosato, A, Lasorsa, A, Galliani, A, Arnesano, F, Natile, G.
Deposit date:2016-09-05
Release date:2016-10-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Mechanistic and Structural Basis for Inhibition of Copper Trafficking by Platinum Anticancer Drugs.
J.Am.Chem.Soc., 141, 2019
5T7Q
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BU of 5t7q by Molmil
TIRAP phosphoinositide-binding motif
Descriptor: Toll/interleukin-1 receptor domain-containing adapter protein
Authors:Capelluto, D.G.S, Ellena, J.F, Armstrong, G, Zhao, X, Xiao, S.
Deposit date:2016-09-05
Release date:2017-03-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Membrane targeting of TIRAP is negatively regulated by phosphorylation in its phosphoinositide-binding motif.
Sci Rep, 7, 2017
5T0R
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BU of 5t0r by Molmil
Synaptotagmin 1 C2A domain, cadmium-bound
Descriptor: CADMIUM ION, Synaptotagmin-1
Authors:Taylor, A.B, Hart, P.J, Igumenova, T.I.
Deposit date:2016-08-16
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.
Biochemistry, 56, 2017
5T0S
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BU of 5t0s by Molmil
Synaptotagmin 1 C2B domain, cadmium-bound
Descriptor: CADMIUM ION, SODIUM ION, Synaptotagmin-1
Authors:Taylor, A.B, Hart, P.J, Igumenova, T.I.
Deposit date:2016-08-16
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.
Biochemistry, 56, 2017
5T2Z
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BU of 5t2z by Molmil
Crystal Structure of Multi-drug Resistant HIV-1 Protease PR-S17 in Complex with Darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease
Authors:Agniswamy, J, Weber, I.T.
Deposit date:2016-08-24
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics.
PLoS ONE, 11, 2016
5UEW
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BU of 5uew by Molmil
BRD2 Bromodomain2 with A-1360579
Descriptor: Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5TWI
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BU of 5twi by Molmil
Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
Descriptor: Cyclic tetrapeptide ALA-ARG-ALA-UN1
Authors:Hoang, H.N, Fairlie, D.P.
Deposit date:2016-11-13
Release date:2016-12-14
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
To Be Published
5TXJ
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BU of 5txj by Molmil
Polymorphic form 1 of amyloid-beta derived peptide - IFAEDV
Descriptor: amyloid-beta derived peptide
Authors:Sangwan, S, Sawaya, M.R, Eisenberg, D.
Deposit date:2016-11-16
Release date:2017-11-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Distal amyloid beta-protein fragments template amyloid assembly.
Protein Sci., 27, 2018
5UI0
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BU of 5ui0 by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 2 harboring an E565A/K659M Double Gain-of-Function Mutation
Descriptor: CITRATE ANION, Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Mohammadi, M, Chen, H.
Deposit date:2017-01-12
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
5TPB
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BU of 5tpb by Molmil
Binding domain of BoNT/A complexed with ganglioside variant
Descriptor: Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
Authors:Berntsson, R.P.-A, Svensson, L.M, Stenmark, P.
Deposit date:2016-10-20
Release date:2017-01-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
5VR4
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BU of 5vr4 by Molmil
RNA octamer containing 2'-F-4'-OMe U.
Descriptor: COBALT TETRAAMMINE ION, RNA (5'-R(*CP*GP*AP*AP*(UMO)P*UP*CP*G)-3')
Authors:Harp, J.M, Egli, M.
Deposit date:2017-05-10
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing.
J. Am. Chem. Soc., 139, 2017
5VL6
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BU of 5vl6 by Molmil
Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
Descriptor: Peptide 38138
Authors:Bermudez, A, Patarroyo, M.E.
Deposit date:2017-04-25
Release date:2018-09-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
To Be Published
5VFF
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BU of 5vff by Molmil
Synaptotagmin 1 C2B domain, lead-bound (low occupancy)
Descriptor: LEAD (II) ION, Synaptotagmin-1
Authors:Taylor, A.B, Hart, P.J, Igumenova, T.I.
Deposit date:2017-04-07
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:High affinity interactions of Pb2+with synaptotagmin I.
Metallomics, 10, 2018
5UJL
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BU of 5ujl by Molmil
Representative 1-conformer ensembles of K27-linked Ub2 from RDC data
Descriptor: Ubiquitin
Authors:Castaneda, C.A, Fushman, D.
Deposit date:2017-01-18
Release date:2017-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Linkage via K27 Bestows Ubiquitin Chains with Unique Properties among Polyubiquitins.
Structure, 24, 2016
5UJN
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BU of 5ujn by Molmil
Representative 2-conformer ensembles of K27-linked Ub2 from RDC data
Descriptor: Ubiquitin
Authors:Castaneda, C.A, Fushman, D.
Deposit date:2017-01-18
Release date:2018-08-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Linkage via K27 Bestows Ubiquitin Chains with Unique Properties among Polyubiquitins.
Structure, 24, 2016
5V2B
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BU of 5v2b by Molmil
Peptide 38148 modified from fragment 41-60 of Plasmodium falciparum Thrombospondin-Related Sporozoite Protein (TRSP)
Descriptor: Thrombospondin-related sporozoite protein
Authors:Bermudez, A, Patarroyo, M.E.
Deposit date:2017-03-03
Release date:2018-08-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Peptide 38148 modified from fragment 41-60 of Plasmodium falciparum Thrombospondin-Related Sporozoite Protein (TRSP)
To Be Published

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數據於2024-07-17公開中

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