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8E4J
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BU of 8e4j by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease H41A miniprecursor mutant
Descriptor: Replicase polyprotein 1ab
Authors:Coates, L, Kneller, D.W, Kovalevsky, A.
Deposit date:2022-08-18
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecursor.
J.Mol.Biol., 434, 2022
4Q67
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BU of 4q67 by Molmil
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH
Descriptor: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Reeve, S.M, Anderson, A.C.
Deposit date:2014-04-21
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Protein design algorithms predict viable resistance to an experimental antifolate.
Proc.Natl.Acad.Sci.USA, 112, 2015
8DSS
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BU of 8dss by Molmil
X-ray crystal structure of Geobacillus stearothermophilus ComEA
Descriptor: ComE operon protein 1
Authors:Ahmed, I, Neiditch, M.B.
Deposit date:2022-07-22
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure-function studies reveal ComEA contains an oligomerization domain essential for transformation in gram-positive bacteria.
Nat Commun, 13, 2022
8E1W
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BU of 8e1w by Molmil
Neutron crystal structure of Panus similis AA9A at room temperature
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
Authors:Meilleur, F, Tandrup, T, Lo Leggio, L.
Deposit date:2022-08-11
Release date:2023-01-11
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION
Cite:Joint X-ray/neutron structure of Lentinus similis AA9_A at room temperature.
Acta Crystallogr.,Sect.F, 79, 2023
4QDP
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BU of 4qdp by Molmil
Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Cd2+ ions and cyclic beta-L-arabinose
Descriptor: CADMIUM ION, Xylose isomerase, beta-L-arabinopyranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-14
Release date:2014-09-03
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
5V7S
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BU of 5v7s by Molmil
Crystal structure of Influenza A virus matrix protein M1 (NLS-88E, pH 6.2)
Descriptor: Matrix protein 1, PHOSPHATE ION
Authors:Musayev, F.N, Safo, M.K, Althufairi, B, Desai, U.R, Xie, H, Mosier, P.D, Chiang, M.-J, Zhou, Q.
Deposit date:2017-03-20
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication.
Emerg Microbes Infect, 6, 2017
3DVF
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BU of 3dvf by Molmil
Structure of amyloidogenic kappa 1 Bence Jones protein
Descriptor: Amyloidogenic immunoglobulin light chain protein AL-12
Authors:Randles, E.G, Thompson, J.R, Ramirez-Alvarado, M.
Deposit date:2008-07-18
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural alterations within native amyloidogenic immunoglobulin light chains.
J.Mol.Biol., 389, 2009
8DSU
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BU of 8dsu by Molmil
Crystal Structure of SARS CoV-2 Mpro with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-07-22
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E7C
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BU of 8e7c by Molmil
Crystal Structure of Porcine Deltacoronavirus (HKU-15) Mpro with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Main Protease, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-23
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E7N
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BU of 8e7n by Molmil
Crystal structure of beluga whale Gammacoronavirus SW1 Mpro with GC-376 captured in two conformational states
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, GLYCEROL, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-24
Release date:2023-03-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E84
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BU of 8e84 by Molmil
Human PCNA mutant- C148S
Descriptor: Proliferating cell nuclear antigen
Authors:Magrino, J, Page, B, Gaubitz, C, Kelch, B.A.
Deposit date:2022-08-25
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A thermosensitive PCNA allele underlies an ataxia-telangiectasia-like disorder.
J.Biol.Chem., 299, 2023
8DL9
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BU of 8dl9 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z199538122
Descriptor: 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase
Authors:Kovalevsky, A.Y, Coates, L, Kneller, D.W.
Deposit date:2022-07-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8DLB
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BU of 8dlb by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083
Descriptor: 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase
Authors:Kovalevsky, A.Y, Coates, L, Kneller, D.W.
Deposit date:2022-07-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8DMD
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BU of 8dmd by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound ZZ4461624291
Descriptor: 1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase
Authors:Kovalevsky, A, Coates, L, Kneller, D.W.
Deposit date:2022-07-08
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
5T1M
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BU of 5t1m by Molmil
Cetuximab Fab in complex with CQYDLSTRRLKC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CETUXIMAB FAB HEAVY CHAIN, CETUXIMAB FAB LIGHT CHAIN, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2016-08-19
Release date:2016-10-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
8EC9
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BU of 8ec9 by Molmil
Covalently stabilized triangular trimer derived from Abeta16-36 with p-iodo-phenylalanine
Descriptor: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-CYS-ILE-ILE-SAR-CYS-MET-VAL
Authors:Kreutzer, A.G, Yoo, S, Nowick, J.S.
Deposit date:2022-09-01
Release date:2023-05-31
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.169 Å)
Cite:Probing differences among A beta oligomers with two triangular trimers derived from A beta.
Proc.Natl.Acad.Sci.USA, 120, 2023
5V5I
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BU of 5v5i by Molmil
OTU protease of Crimean Congo Hemorrhagic Fever Virus bound to ubiquitin variant CC.1
Descriptor: RNA-directed RNA polymerase L, Ubiquitin variant CC.1
Authors:Khare, B, Mark, B.L.
Deposit date:2017-03-14
Release date:2017-05-10
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:OTU protease of Crimean Congo Hemorrhagic Fever Virus bound to ubiquitin variant CC.1
To be published
8ECA
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BU of 8eca by Molmil
Covalently stabilized triangular trimer derived from Abeta16-36
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ORN-LYS-LEU-VAL-PHE-PHE-ALA-GLU-ORN-CYS-ILE-ILE-SAR-CYS-MET
Authors:Kreutzer, A.G, Yoo, S, Nowick, J.S.
Deposit date:2022-09-01
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Probing differences among A beta oligomers with two triangular trimers derived from A beta.
Proc.Natl.Acad.Sci.USA, 120, 2023
5V30
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BU of 5v30 by Molmil
Crystal structure of the sensor domain of the transcriptional regulator HcpR from Porphyromonas Gingivalis
Descriptor: GLYCEROL, SULFATE ION, Transcriptional regulator
Authors:Musayev, F.N, Belvin, B.R, Escalante, C.R, Turner, J, Lewis, J.P.
Deposit date:2017-03-06
Release date:2018-06-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Nitrosative stress sensing in Porphyromonas gingivalis: structure of and heme binding by the transcriptional regulator HcpR.
Acta Crystallogr D Struct Biol, 75, 2019
4R63
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BU of 4r63 by Molmil
Binary complex crystal structure of R258A mutant of DNA polymerase Beta
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Batra, V.K, Beard, W.A, Wilson, S.H.
Deposit date:2014-08-22
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
2YCG
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BU of 2ycg by Molmil
Structure of unreduced ferric cytochrome c peroxidase obtained by multicrystal method
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ...
Authors:Gumiero, A, Raven, E.L, Moody, P.C.E.
Deposit date:2011-03-14
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Hydrogen Bonds in Ferric Cytochrome C Peroxidase: A Combined X-Ray and Neutron Study
To be Published
2YPZ
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BU of 2ypz by Molmil
KSHV LANA (ORF73) C-terminal domain, decameric ring: orthorhombic crystal form
Descriptor: KSHV LANA
Authors:Hellert, J, Krausze, J, Luhrs, T.
Deposit date:2012-11-02
Release date:2013-11-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:A Structural Basis for Brd2/4-Mediated Host Chromatin Interaction and Oligomer Assembly of Kaposi Sarcoma-Associated Herpesvirus and Murine Gammaherpesvirus Lana Proteins.
Plos Pathog., 9, 2013
2YMT
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BU of 2ymt by Molmil
gamma 2 adaptin EAR domain crystal structure with phage peptide GEEWGPWV
Descriptor: 1,3-PROPANDIOL, AP-1 COMPLEX SUBUNIT GAMMA-LIKE 2, PHAGE DISPLAY DERIVED GAMMA 2 ADAPTIN EAR DOMAIN BINDING PEPTIDE
Authors:Juergens, M.C, Voros, J, Rautureau, G, Shepherd, D, Pye, V.E, Muldoon, J, Johnson, C.M, Ashcroft, A, Freund, S.M.V, Ferguson, N.
Deposit date:2012-10-10
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:The Hepatitis B Virus Pres1 Domain Hijacks Host Trafficking Proteins by Motif Mimicry.
Nat.Chem.Biol., 9, 2013
8E66
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BU of 8e66 by Molmil
ETV6 H396Y variant bound to DNA containing the sequence GGAA
Descriptor: CACODYLATE ION, Complementary 15 bp strand, GGAA-containing 15 bp DNA, ...
Authors:Scheu, K, Chan, A.C, Murphy, M.E, McIntosh, L.P.
Deposit date:2022-08-22
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The functional role of histidine within the ETV6 ETS domain
to be published
8E7T
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BU of 8e7t by Molmil
Crystal structure of Middle East respiratory syndrome coronavirus (MERS-CoV) 3CL protease inactive mutant C148A
Descriptor: 3C-Like Protease, GLYCEROL, SODIUM ION
Authors:Shaqra, A.M, Zvornicanin, S.N, Schiffer, C.A.
Deposit date:2022-08-24
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Middle East respiratory syndrome coronavirus (MERS-CoV) 3CL protease inactive mutant C148A
To Be Published

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