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6OVJ
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BU of 6ovj by Molmil
NMR structure of truncated alpha conotoxin SII: Ile-SII(3-14)
Descriptor: Alpha-conotoxin S2
Authors:Chin, Y.K.-Y, Wilhelm, P, Alewood, P.F.
Deposit date:2019-05-08
Release date:2020-05-06
Last modified:2023-10-11
Method:SOLUTION NMR
Cite:Cysteine-Rich alpha-Conotoxin SII Displays Novel Interactions at the Muscle Nicotinic Acetylcholine Receptor.
Acs Chem Neurosci, 13, 2022
6OXY
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BU of 6oxy by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-19
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OY8
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BU of 6oy8 by Molmil
Crystal structure of Y99G mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OZH
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BU of 6ozh by Molmil
Crystal structure of Ciona intestinalis (Ci) Endonuclease V in complex with a 24mer DNA containing an inosine followed by a ribo-adenosine
Descriptor: CALCIUM ION, DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3'), endonuclease V isoform X2
Authors:Samara, N.L, Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.026 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
1AYX
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BU of 1ayx by Molmil
CRYSTAL STRUCTURE OF GLUCOAMYLASE FROM SACCHAROMYCOPSIS FIBULIGERA AT 1.7 ANGSTROMS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUCOAMYLASE
Authors:Sevcik, J, Hostinova, E, Gasperik, J, Solovicova, A, Wilson, K.S, Dauter, Z.
Deposit date:1997-11-12
Release date:1998-05-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of glucoamylase from Saccharomycopsis fibuligera at 1.7 A resolution.
Acta Crystallogr.,Sect.D, 54, 1998
1B26
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BU of 1b26 by Molmil
GLUTAMATE DEHYDROGENASE
Descriptor: GLUTAMATE DEHYDROGENASE
Authors:Knapp, S, Devos, W.M, Rice, D, Ladenstein, R.
Deposit date:1998-12-04
Release date:1999-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of glutamate dehydrogenase from the hyperthermophilic eubacterium Thermotoga maritima at 3.0 A resolution.
J.Mol.Biol., 267, 1997
1UBN
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BU of 1ubn by Molmil
SELENOSUBTILISIN BPN
Descriptor: CALCIUM ION, PROTEIN (SELENOSUBTILISIN BPN)
Authors:McRee, D.E, McTigue, M, Hilvert, D.
Deposit date:1999-06-02
Release date:1999-06-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Electric fields in active sites: substrate switching from null to strong fields in thiol- and selenol-subtilisins.
Biochemistry, 38, 1999
1DUM
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BU of 1dum by Molmil
NMR STRUCTURE OF [F5Y, F16W] MAGAININ 2 BOUND TO PHOSPHOLIPID VESICLES
Descriptor: MAGAININ 2
Authors:Takeda, A, Wakamatsu, K, Tachi, T, Matsuzaki, K.
Deposit date:2000-01-18
Release date:2001-06-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Effects of peptide dimerization on pore formation: Antiparallel disulfide-dimerized magainin 2 analogue.
Biopolymers, 58, 2001
1E6F
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BU of 1e6f by Molmil
Human MIR-receptor, repeat 11
Descriptor: CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR
Authors:Von Buelow, R, Rajashankar, K.R, Dauter, M, Dauter, Z, Grimme, S, Schmidt, B, Von Figura, K, Uson, I.
Deposit date:2000-08-15
Release date:2001-08-09
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Locating the Anomalous Scatterer Substructures in Halide and Sulfur Phasing
Acta Crystallogr.,Sect.D, 59, 2003
6VLX
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BU of 6vlx by Molmil
Crystal structure of FabI from Alistipes finegoldii
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL
Authors:Radka, C.D, Seetharaman, J, Rock, C.O.
Deposit date:2020-01-27
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The genome of a Bacteroidetes inhabitant of the human gut encodes a structurally distinct enoyl-acyl carrier protein reductase (FabI).
J.Biol.Chem., 295, 2020
6VKX
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BU of 6vkx by Molmil
Crystal structure of the carbohydrate-binding domain VP8* of human P[8] rotavirus strain BM13851
Descriptor: DI(HYDROXYETHYL)ETHER, Outer capsid protein VP4, TETRAETHYLENE GLYCOL
Authors:Xu, S, McGinnis, K.R, Jiang, X, Kennedy, M.A.
Deposit date:2020-01-22
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens.
Proc.Natl.Acad.Sci.USA, 118, 2021
6VRI
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BU of 6vri by Molmil
Crystal Structure of the wtBlc-split Protein
Descriptor: Outer membrane lipoprotein Blc, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Bozhanova, N.G, Meiler, J.
Deposit date:2020-02-07
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Lipocalin Blc is a potential heme-binding protein.
Febs Lett., 595, 2021
6VOZ
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BU of 6voz by Molmil
Artificial Metalloproteins with Dinuclear Iron Centers
Descriptor: ACETATE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
Authors:Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S.
Deposit date:2020-02-01
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers.
J.Am.Chem.Soc., 143, 2021
6W3R
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BU of 6w3r by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 3-methylisoleucine
Descriptor: 3-methyl-L-alloisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ...
Authors:Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
Deposit date:2020-03-09
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6W4K
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BU of 6w4k by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011
Descriptor: 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
Authors:Hosfield, D.J.
Deposit date:2020-03-11
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1).
J.Med.Chem., 63, 2020
6W2S
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BU of 6w2s by Molmil
Structure of the Cricket Paralysis Virus 5-UTR IRES (CrPV 5-UTR-IRES) bound to the small ribosomal subunit in the open state (Class 1)
Descriptor: 18S rRNA, CrPV 5'-UTR IRES, Eukaryotic translation initiation factor 3 subunit A, ...
Authors:Neupane, R, Pisareva, V, Rodriguez, C.F, Pisarev, A, Fernandez, I.S.
Deposit date:2020-03-08
Release date:2020-04-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:A complex IRES at the 5'-UTR of a viral mRNA assembles a functional 48S complex via an uAUG intermediate.
Elife, 9, 2020
6VLY
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BU of 6vly by Molmil
Crystal structure of FabI-NADH complex from Alistipes finegoldii
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Radka, C.D, Seetharaman, J, Rock, C.O.
Deposit date:2020-01-27
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The genome of a Bacteroidetes inhabitant of the human gut encodes a structurally distinct enoyl-acyl carrier protein reductase (FabI).
J.Biol.Chem., 295, 2020
6VRN
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BU of 6vrn by Molmil
T cell receptor-p53-HLA-A2 complex
Descriptor: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, MHC class I antigen, ...
Authors:Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A.
Deposit date:2020-02-08
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen.
Nat Commun, 11, 2020
6VSA
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BU of 6vsa by Molmil
Single particle reconstruction of HemQ from Geobacillus based on data acquired in the presence of substantial aberrations
Descriptor: HemQ
Authors:Bromberg, R, Guo, Y, Borek, D, Otwinowski, Z.
Deposit date:2020-02-10
Release date:2020-02-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.32 Å)
Cite:High-resolution cryo-EM reconstructions in the presence of substantial aberrations
Iucrj, 7, 2020
5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
Descriptor: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
Authors:Mohr, C.
Deposit date:2015-11-10
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
6VWI
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BU of 6vwi by Molmil
Head region of the closed conformation of the human type 1 insulin-like growth factor receptor ectodomain in complex with human insulin-like growth factor II.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor II, Leucine-zippered human type 1 insulin-like growth factor receptor ectodomain
Authors:Xu, Y, Kirk, N.S, Lawrence, M.C, Croll, T.I.
Deposit date:2020-02-19
Release date:2020-05-13
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:How IGF-II Binds to the Human Type 1 Insulin-like Growth Factor Receptor.
Structure, 28, 2020
6W3O
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BU of 6w3o by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 4-methylisoleucine
Descriptor: 4-methylisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ...
Authors:Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
Deposit date:2020-03-09
Release date:2020-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6VRM
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BU of 6vrm by Molmil
T cell receptor-p53-HLA-A2 complex
Descriptor: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, MHC class I antigen, ...
Authors:Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A.
Deposit date:2020-02-08
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen.
Nat Commun, 11, 2020
6VWH
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BU of 6vwh by Molmil
Leg region of the open conformation of the human type 1 insulin-like growth factor receptor ectodomain in complex with human insulin-like growth factor II.
Descriptor: Leucine-zippered human type 1 insulin-like growth factor receptor ectodomain
Authors:Xu, Y, Kirk, N.S, Lawrence, M.C, Croll, T.I.
Deposit date:2020-02-19
Release date:2020-05-13
Last modified:2020-07-22
Method:ELECTRON MICROSCOPY (4.26 Å)
Cite:How IGF-II Binds to the Human Type 1 Insulin-like Growth Factor Receptor.
Structure, 28, 2020
6VUR
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BU of 6vur by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT366
Descriptor: 2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020

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