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7D5E
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BU of 7d5e by Molmil
Left-handed G-quadruplex containing two bulges
Descriptor: 2xBulge-LHG4motif, POTASSIUM ION, SODIUM ION, ...
Authors:Das, P, Maity, A, Ngo, K.H, Winnerdy, F.R, Bakalar, B, Mechulam, Y, Schmitt, E, Phan, A.T.
Deposit date:2020-09-25
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.296 Å)
Cite:Bulges in left-handed G-quadruplexes.
Nucleic Acids Res., 49, 2021
4JNE
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BU of 4jne by Molmil
Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Hsp70 CHAPERONE DnaK, ...
Authors:Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q.
Deposit date:2013-03-15
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP.
Nat.Struct.Mol.Biol., 20, 2013
7S22
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BU of 7s22 by Molmil
Crystal structure of alpha-COP-WD40 domain
Descriptor: Coatomer subunit alpha
Authors:Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S.
Deposit date:2021-09-02
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking
Commun Biol, 5, 2022
8CK8
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BU of 8ck8 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-Cyclohexyloxy-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
Descriptor: (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Musil, D.
Deposit date:2023-02-14
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
6K99
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BU of 6k99 by Molmil
Structure of ASC CARD filament
Descriptor: Apoptosis-associated speck-like protein containing a CARD
Authors:Gong, Q, Xu, C, Zhang, J, Boo, Z.Z, Wu, B.
Deposit date:2019-06-14
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for distinct inflammasome complex assembly by human NLRP1 and CARD8.
Nat Commun, 12, 2021
6Z3G
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BU of 6z3g by Molmil
Repulsive Guidance Molecule A (RGMA) in complex with Growth Differentiation Factor 5 (GDF5)
Descriptor: CITRIC ACID, Growth/differentiation factor 5, Repulsive guidance molecule A
Authors:Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
7S23
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BU of 7s23 by Molmil
Crystal structure of alpha-COP-WD40 domain, Y139A mutant
Descriptor: Coatomer subunit alpha
Authors:Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S.
Deposit date:2021-09-03
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking
Commun Biol, 5, 2022
6TBO
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BU of 6tbo by Molmil
3C-like protease from Southampton virus complexed with FMOPL000363a.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-02
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
5VZT
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BU of 5vzt by Molmil
Crystal structure of the Skp1-FBXO31 complex
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, F-box only protein 31, PHOSPHATE ION, ...
Authors:Li, Y, Jin, K, Hao, B.
Deposit date:2017-05-29
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the phosphorylation-independent recognition of cyclin D1 by the SCFFBXO31 ubiquitin ligase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1C2I
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BU of 1c2i by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE, CALCIUM ION, CHLORIDE ION, ...
Authors:Katz, B.A, Luong, C.
Deposit date:1999-07-21
Release date:2000-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
5DOY
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BU of 5doy by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with antibiotic Hygromycin A, mRNA and three tRNAs in the A, P and E sites at 2.6A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
Authors:Polikanov, Y.S, Starosta, A.L, Juette, M.F, Altman, R.B, Terry, D.S, Lu, W, Burnett, B.J, Dinos, G, Reynolds, K, Blanchard, S.C, Steitz, T.A, Wilson, D.N.
Deposit date:2015-09-11
Release date:2015-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Distinct tRNA Accommodation Intermediates Observed on the Ribosome with the Antibiotics Hygromycin A and A201A.
Mol.Cell, 58, 2015
7LM8
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BU of 7lm8 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with two cross-neutralizing antibodies CV38-142 and COVA1-16 Fabs isolated from COVID-19 patients
Descriptor: 1,2-ETHANEDIOL, COVA1-16 Fab heavy chain, COVA1-16 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2021-02-05
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:A combination of cross-neutralizing antibodies synergizes to prevent SARS-CoV-2 and SARS-CoV pseudovirus infection.
Cell Host Microbe, 29, 2021
1C1O
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BU of 1c1o by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: CALCIUM ION, MAGNESIUM ION, SULFATE ION, ...
Authors:Katz, B.A, Luong, C.
Deposit date:1999-07-21
Release date:2000-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C1V
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BU of 1c1v by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, Hirudin-2, SODIUM ION, ...
Authors:Katz, B.A, Luong, C.
Deposit date:1999-07-21
Release date:2000-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
5FQP
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BU of 5fqp by Molmil
Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 1.
Descriptor: (E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA
Authors:Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
Deposit date:2015-12-14
Release date:2016-02-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
8DG4
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BU of 8dg4 by Molmil
Group A streptococcus Enolase K252A, K255A, K434A, K435A mutant
Descriptor: Enolase
Authors:Tjia-Fleck, S.C, Readnour, B.M, Castellino, F.J.
Deposit date:2022-06-23
Release date:2022-12-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:High-Resolution Single-Particle Cryo-EM Hydrated Structure of Streptococcus pyogenes Enolase Offers Insights into Its Function as a Plasminogen Receptor.
Biochemistry, 62, 2023
5KEG
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BU of 5keg by Molmil
Crystal structure of APOBEC3A in complex with a single-stranded DNA
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ...
Authors:Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A.
Deposit date:2016-06-09
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Nat Commun, 8, 2017
6NS5
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BU of 6ns5 by Molmil
Crystal structure of fungal lipoxygenase from Fusarium graminearum. Second C2 crystal form.
Descriptor: FE (II) ION, lipoxygenase
Authors:Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E.
Deposit date:2019-01-24
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere.
Protein Sci., 28, 2019
6DFV
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BU of 6dfv by Molmil
Mouse diabetogenic TCR 8F10
Descriptor: 1,2-ETHANEDIOL, TCR alpha chain, TCR beta chain
Authors:Wang, Y, Dai, S.
Deposit date:2018-05-15
Release date:2019-04-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6QRZ
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BU of 6qrz by Molmil
Crystal structure of R2-like ligand-binding oxidase from Sulfolobus acidocaldarius solved by 3D micro-crystal electron diffraction
Descriptor: FE (III) ION, MANGANESE (III) ION, Ribonucleoside-diphosphate reductase
Authors:Xu, H, Lebrette, H, Clabbers, M.T.B, Zhao, J, Griese, J.J, Zou, X, Hogbom, M.
Deposit date:2019-02-20
Release date:2019-04-24
Last modified:2024-05-15
Method:ELECTRON CRYSTALLOGRAPHY (3 Å)
Cite:Solving a new R2lox protein structure by microcrystal electron diffraction.
Sci Adv, 5, 2019
6DQ6
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BU of 6dq6 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
8D4O
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BU of 8d4o by Molmil
Crystal Structure of the Neutrophil Serine Protease Inhibitor Eap1 from S. aureus
Descriptor: Extracellular Adherence Protein, SODIUM ION
Authors:Gido, C.D, Geisbrecht, B.V.
Deposit date:2022-06-02
Release date:2022-12-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
1C2D
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BU of 1c2d by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Katz, B.A, Luong, C.
Deposit date:1999-07-21
Release date:2000-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
7B0H
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BU of 7b0h by Molmil
TgoT_6G12 Ternary complex
Descriptor: DNA (5'-D(P*AP*AP*CP*GP*GP*CP*AP*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(P*CP*GP*CP*AP*TP*T)-3'), DNA polymerase, ...
Authors:Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
Deposit date:2020-11-19
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
6RP2
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BU of 6rp2 by Molmil
Threonine to Cysteine (T225C) variant of E coli hydrogenase-1
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Carr, S.B, Armstrong, F.A, Zhang, L.
Deposit date:2019-05-13
Release date:2020-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Aerobic Photocatalytic H2Production by a [NiFe] Hydrogenase Engineered to Place a Silver Nanocluster in the Electron Relay.
J.Am.Chem.Soc., 142, 2020

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