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5INR
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BU of 5inr by Molmil
A C69-family cysteine dipeptidase in complex with Ala-Pro from Lactobacillus farciminis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ALANINE, ...
Authors:Kono, R, Watanabe, K.
Deposit date:2016-03-07
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.652 Å)
Cite:A C69-family cysteine dipeptidase from Lactobacillus farciminis; substrate recognition mechanism and autoproteolytic mechanism in enzyme maturation
To Be Published
7M0C
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BU of 7m0c by Molmil
Post-catalytic nicked complex of DNA Polymerase Lambda with bound mismatched DSB substrate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*GP*TP*GP*CP*T)-3'), ...
Authors:Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
Deposit date:2021-03-10
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Comprehensive structural survey of DNA double-strand break synapsis by DNA Polymerase Lambda
Not Published
5IOQ
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BU of 5ioq by Molmil
Flavin-dependent thymidylate synthase in complex with FAD and deoxyuridine
Descriptor: 2'-DEOXYURIDINE, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ...
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
7LZ3
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BU of 7lz3 by Molmil
Computational design of constitutively active cGAS
Descriptor: Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION
Authors:Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P.
Deposit date:2021-03-08
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
5VRN
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BU of 5vrn by Molmil
CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Abendroth, J, Edwards, T.E, Lorimer, D.
Deposit date:2017-05-11
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018
7M3V
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BU of 7m3v by Molmil
RNA bulged-G motif
Descriptor: IRIDIUM (III) ION, RNA (27-MER)
Authors:Kondo, J, Sekiguchi, S.
Deposit date:2021-03-19
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:RNA bulged-G motif
To Be Published
5IJN
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BU of 5ijn by Molmil
Composite structure of the inner ring of the human nuclear pore complex (32 copies of Nup205)
Descriptor: NUCLEAR PORE COMPLEX PROTEIN NUP155, NUCLEAR PORE COMPLEX PROTEIN NUP205, NUCLEAR PORE COMPLEX PROTEIN NUP54, ...
Authors:Kosinski, J, Mosalaganti, S, von Appen, A, Beck, M.
Deposit date:2016-03-02
Release date:2016-04-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (21.4 Å)
Cite:Molecular architecture of the inner ring scaffold of the human nuclear pore complex.
Science, 352, 2016
5I4X
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BU of 5i4x by Molmil
Exploring onset of lysozyme denaturation by urea - soak period 2 hours
Descriptor: CHLORIDE ION, Lysozyme C, UREA
Authors:Hosur, M.V, Raskar, T, Khavnekar, S.
Deposit date:2016-02-13
Release date:2017-02-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.607 Å)
Cite:Time-dependent X-ray diffraction studies on urea/hen egg white lysozyme complexes reveal structural changes that indicate onset of denaturation
Sci Rep, 6, 2016
5IP8
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BU of 5ip8 by Molmil
Lambda-Ru(TAP)2dppz bound to d(CCGGCTCCGG)
Descriptor: BARIUM ION, DNA (5'-D(*CP*CP*GP*GP*AP*GP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*CP*TP*CP*CP*GP*G)-3'), ...
Authors:Souter, J.E, Hall, J.P, Cardin, C.J.
Deposit date:2016-03-09
Release date:2017-03-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Sequence specific binding of light activated Ru-polypyridyls
To Be Published
5VF1
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BU of 5vf1 by Molmil
X-ray Crystallographic Structure of a Giant Double-Walled Peptide Nanotube Formed by a Macrocyclic Beta-Sheet Containing ABeta16-22
Descriptor: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-GLU-ALA-PHE-MEA-VAL-LEU-LYS
Authors:Chen, K.H, Corro, K.A, Le, S.P, Nowick, J.S.
Deposit date:2017-04-06
Release date:2017-06-21
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Crystallographic Structure of a Giant Double-Walled Peptide Nanotube Formed by a Macrocyclic beta-Sheet Containing A beta 16-22.
J. Am. Chem. Soc., 139, 2017
5VT0
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BU of 5vt0 by Molmil
Escherichia coli 6S RNA derivative in complex with Escherichia coli RNA polymerase sigma70-holoenzyme
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Chen, J, Darst, S.A.
Deposit date:2017-05-15
Release date:2017-11-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:6S RNA Mimics B-Form DNA to Regulate Escherichia coli RNA Polymerase.
Mol. Cell, 68, 2017
5VU5
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BU of 5vu5 by Molmil
TNA polymerase, apo
Descriptor: DNA polymerase
Authors:Chim, N, Chaput, J.C.
Deposit date:2017-05-18
Release date:2017-12-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for TNA synthesis by an engineered TNA polymerase.
Nat Commun, 8, 2017
1SE3
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BU of 1se3 by Molmil
STAPHYLOCOCCAL ENTEROTOXIN B COMPLEXED WITH GM3 TRISACCHARIDE
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, STAPHYLOCOCCAL ENTEROTOXIN B
Authors:Swaminathan, S, Sax, M.
Deposit date:1996-10-11
Release date:1997-06-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Residues defining V beta specificity in staphylococcal enterotoxins.
Nat.Struct.Biol., 2, 1995
5IPI
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BU of 5ipi by Molmil
Structure of Adeno-associated virus type 2 VLP
Descriptor: Capsid protein VP1
Authors:Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M.
Deposit date:2016-03-09
Release date:2016-07-20
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
5VF6
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BU of 5vf6 by Molmil
Crystal structure of single chain variable fragment (scFv45).
Descriptor: single chain variable fragment
Authors:Shrestha, O.K, Tocilj, A, Joshua-Tor, L, Tonks, N.K.
Deposit date:2017-04-06
Release date:2018-01-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.635 Å)
Cite:Harnessing insulin- and leptin-induced oxidation of PTP1B for therapeutic development.
Nat Commun, 9, 2018
5VFC
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BU of 5vfc by Molmil
WDR5 bound to inhibitor MM-589
Descriptor: 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ...
Authors:Stuckey, J.A.
Deposit date:2017-04-07
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
5I51
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BU of 5i51 by Molmil
Crystal Structure of Transketolase mutant-R356L complex with fructose-6-phoaphate from Pichia Stipitis
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, FRUCTOSE -6-PHOSPHATE, ...
Authors:Li, T.L, Hsu, L.J, Hsu, N.S.
Deposit date:2016-02-13
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural and biochemical interrogation on transketolase from Pichia stipitis for new functionality
Protein Eng. Des. Sel., 2016
5VFM
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BU of 5vfm by Molmil
Crystal structure of BnSP-7 from Bothrops pauloensis complexed with p-coumaric acid
Descriptor: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 4'-HYDROXYCINNAMIC ACID, Basic phospholipase A2 homolog BnSP-7, ...
Authors:De Lima, L.F.G, Fontes, M.R.M.
Deposit date:2017-04-08
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.058 Å)
Cite:Structural studies with BnSP-7 reveal an atypical oligomeric conformation compared to phospholipases A2-like toxins.
Biochimie, 142, 2017
5VFW
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BU of 5vfw by Molmil
An engineered cyclic peptide alleviates symptoms of inflammation in a murine model of inflammatory bowel disease
Descriptor: Annexin A1
Authors:Daly, N.L, Cobos Caceres, C.
Deposit date:2017-04-09
Release date:2017-05-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An engineered cyclic peptide alleviates symptoms of inflammation in a murine model of inflammatory bowel disease.
J. Biol. Chem., 292, 2017
5VJ8
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BU of 5vj8 by Molmil
Backbone structure of the Yersinia pestis outer membrane protein Ail in phospholipid bilayer nanodisc
Descriptor: Adhesion invasion locus
Authors:Dutta, S.K, Yong, Y, Marassi, F.M.
Deposit date:2017-04-19
Release date:2017-05-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Insights into the Yersinia pestis Outer Membrane Protein Ail in Lipid Bilayers.
J Phys Chem B, 121, 2017
5IT5
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BU of 5it5 by Molmil
Thermus thermophilus PilB core ATPase region
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP binding motif-containing protein PilF, MAGNESIUM ION, ...
Authors:Mancl, J, Robinson, H, Black, W, Yang, Z, Schubot, F.
Deposit date:2016-03-16
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.648 Å)
Cite:Crystal Structure of a Type IV Pilus Assembly ATPase: Insights into the Molecular Mechanism of PilB from Thermus thermophilus.
Structure, 24, 2016
5ITU
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BU of 5itu by Molmil
Crystal Structure of Human NEIL1(242K) bound to duplex DNA containing THF
Descriptor: DNA (5'-D(*CP*GP*TP*CP*CP*AP*CP*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1
Authors:Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C.
Deposit date:2016-03-17
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
7M69
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BU of 7m69 by Molmil
E1435Q Ycf1 mutant in inward-facing wide conformation
Descriptor: Metal resistance protein YCF1
Authors:Khandelwal, N.K, Millan, C.R, Thaker, T.M, Tomasiak, T.M.
Deposit date:2021-03-25
Release date:2022-04-06
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:The structural basis for regulation of the glutathione transporter Ycf1 by regulatory domain phosphorylation.
Nat Commun, 13, 2022
6PD6
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BU of 6pd6 by Molmil
Crystal Structure of a H5N1 influenza virus hemagglutinin at pH 7.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ...
Authors:Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M.
Deposit date:2019-06-18
Release date:2019-11-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Identification of a pH sensor in Influenza hemagglutinin using X-ray crystallography.
J.Struct.Biol., 209, 2020
5I0W
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BU of 5i0w by Molmil
IRON AND COPPER-BOUND P19 FROM CAMPYLOBACTER JEJUNI UNDER REDUCING CONDITIONS
Descriptor: CHLORIDE ION, COPPER (I) ION, FE (II) ION, ...
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2016-02-04
Release date:2017-02-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A copper site is required for iron transport by the periplasmic proteins P19 and FetP.
Metallomics, 12, 2020

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