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6ZBB
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BU of 6zbb by Molmil
bovine ATP synthase Fo domain
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T, Montgomery, M.G, Walker, J.E.
Deposit date:2020-06-08
Release date:2020-09-09
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZIK
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BU of 6zik by Molmil
bovine ATP synthase rotor domain, state 3
Descriptor: ATP synthase F(0) complex subunit C2, mitochondrial, ATP synthase subunit delta, ...
Authors:Spikes, T, Montgomery, M.G, Walker, J.E.
Deposit date:2020-06-26
Release date:2020-09-09
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YYE
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BU of 6yye by Molmil
TREM2 extracellular domain (19-131) in complex with single-chain variable fragment (scFv-2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, TREM2 Single chain variable 2, Triggering receptor expressed on myeloid cells 2
Authors:Szykowska, A, Preger, C, Krojer, T, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Burgess-Brown, N, Bullock, A.
Deposit date:2020-05-04
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
6Z8G
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BU of 6z8g by Molmil
Crystal structure of VSG13 soaked in 0.5 M used to phase VSG13 to solve the structure.
Descriptor: BROMIDE ION, SULFATE ION, Variant surface glycoprotein MITat 1.13, ...
Authors:Stebbins, C.E, Hempelmann, A, Van Straaten, M, Zeelen, J.
Deposit date:2020-06-02
Release date:2021-03-17
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
6Z79
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BU of 6z79 by Molmil
Variant Surface Glycoprotein VSGsur, I3C ("Magic Triangle") derivative used for phasing of the structure and subsequently as a model for molecular replacement of native, mutants, and drug soaks.
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2020-05-30
Release date:2021-03-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
6Z8H
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BU of 6z8h by Molmil
Crystal structure of Variant Surface Glycoprotein VSG13
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Variant surface glycoprotein MITat 1.13, ...
Authors:Stebbins, C.E, Hempelmann, A, Van Straaten, M, Zeelen, J.
Deposit date:2020-06-02
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
7U51
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BU of 7u51 by Molmil
Nucleosome core particle with AP-site at SHL-6
Descriptor: DNA (145-MER), Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, ...
Authors:Freudenthal, B.D, Weaver, T.M.
Deposit date:2022-03-01
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for APE1 processing DNA damage in the nucleosome.
Nat Commun, 13, 2022
7U52
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BU of 7u52 by Molmil
nucleosome core particle with AP-site at SHL-6.5
Descriptor: DNA (145-MER), Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, ...
Authors:Freudenthal, B.D, Weaver, T.M.
Deposit date:2022-03-01
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for APE1 processing DNA damage in the nucleosome.
Nat Commun, 13, 2022
7U50
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BU of 7u50 by Molmil
APE1 bound to a nucleosome core particle with AP-site at SHL-6
Descriptor: DNA (144-MER), DNA (145-MER), DNA-(apurinic or apyrimidinic site) endonuclease, ...
Authors:Weaver, T.M, Freudenthal, B.D.
Deposit date:2022-03-01
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for APE1 processing DNA damage in the nucleosome.
Nat Commun, 13, 2022
2UUY
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BU of 2uuy by Molmil
Structure of a tick tryptase inhibitor in complex with bovine trypsin
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, CHLORIDE ION, ...
Authors:Siebold, C, Paesen, G.C, Harlos, K, Peacey, M.F, Nuttall, P.A, Stuart, D.I.
Deposit date:2007-03-08
Release date:2007-04-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:A Tick Protein with a Modified Kunitz Fold Inhibits Human Tryptase.
J.Mol.Biol., 368, 2007
3N8X
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BU of 3n8x by Molmil
Crystal Structure of Cyclooxygenase-1 in Complex with Nimesulide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-NITRO-2-PHENOXYMETHANESULFONANILIDE, ...
Authors:Lee, J.Y.
Deposit date:2010-05-28
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers
Biochemistry, 49, 2010
4AE9
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BU of 4ae9 by Molmil
Structure and function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit C alpha 2
Descriptor: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA
Authors:Hereng, T.H, Backe, P.H, Kahmann, J, Scheich, C, Bjoras, M, Skalhegg, B.S, Rosendal, K.R.
Deposit date:2012-01-09
Release date:2012-04-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase a (Pka) Catalytic Subunit Calpha2
J.Struct.Biol., 178, 2012
6Z4T
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BU of 6z4t by Molmil
sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid 2-Amino-3-(thiazol-5-yl)propanoic acid as axial heme ligand
Descriptor: Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tinzl, M, Hilvert, D, Mittl, P.R.E.
Deposit date:2020-05-25
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Noncanonical Heme Ligands Steer Carbene Transfer Reactivity in an Artificial Metalloenzyme*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZCC
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BU of 6zcc by Molmil
X-ray structure of the Haloalkane dehalogenase HOB (HaloTag7-based Oligonucleotide Binder) labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate
Descriptor: ACETATE ION, CALCIUM ION, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2020-06-10
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Biochemistry, 60, 2021
6ZD2
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BU of 6zd2 by Molmil
Structure of apo telomerase from Candida Tropicalis truncated from C-terminal domain
Descriptor: SODIUM ION, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-13
Release date:2021-04-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZDQ
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BU of 6zdq by Molmil
Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA
Descriptor: RNA, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-15
Release date:2021-04-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZDU
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BU of 6zdu by Molmil
Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA
Descriptor: Chains: C,D, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
7U53
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BU of 7u53 by Molmil
Nucleosome core particle with AP-site at SHL0
Descriptor: DNA (144-MER), Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, ...
Authors:Freudenthal, B.D, Weaver, T.M.
Deposit date:2022-03-01
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for APE1 processing DNA damage in the nucleosome.
Nat Commun, 13, 2022
6Z4R
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BU of 6z4r by Molmil
sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid 3-thienylalanine as axial heme ligand
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tinzl, M, Hilvert, D, Mittl, P.R.E.
Deposit date:2020-05-25
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Noncanonical Heme Ligands Steer Carbene Transfer Reactivity in an Artificial Metalloenzyme*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZD1
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BU of 6zd1 by Molmil
Structure of apo telomerase from Candida Tropicalis
Descriptor: Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-13
Release date:2021-04-28
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZD6
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BU of 6zd6 by Molmil
Structure of apo telomerase from Candida Tropicalis
Descriptor: Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-13
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZDP
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BU of 6zdp by Molmil
Structure of telomerase from Candida Tropicalis in complexe with TWJ fragment of telomeric RNA
Descriptor: Chains: B, POTASSIUM ION, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-15
Release date:2021-04-28
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
5EH7
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BU of 5eh7 by Molmil
human carbonic anhydrase II in complex with ligand
Descriptor: 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole, Carbonic anhydrase 2, FORMIC ACID, ...
Authors:Ren, B.
Deposit date:2015-10-28
Release date:2016-03-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.425 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
2IKG
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BU of 2ikg by Molmil
Aldose reductase complexed with nitrophenyl-oxadiazol type inhibitor at 1.43 A
Descriptor: 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Koch, C, Heine, A, Klebe, G.
Deposit date:2006-10-02
Release date:2007-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural and Thermodynamic Study on Aldose Reductase: Nitro-substituted Inhibitors with Strong Enthalpic Binding Contribution
J.Mol.Biol., 368, 2007

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