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5O18
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BU of 5o18 by Molmil
Crystal structure of murine neuroglobin mutant V140W
Descriptor: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Colloc'h, N, Prange, T.
Deposit date:2017-05-18
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
4ZI6
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BU of 4zi6 by Molmil
Crystal structure of leucine aminopeptidase from Helicobacter pylori
Descriptor: BICARBONATE ION, Cytosol aminopeptidase, SODIUM ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2015-04-27
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for substrate specificity of Helicobacter pylori M17 aminopeptidase.
Biochimie, 121, 2016
4ZAE
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BU of 4zae by Molmil
Development of a novel class of potent and selective FIXa inhibitors
Descriptor: 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-04-13
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of a novel class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8DCT
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BU of 8dct by Molmil
Lysozyme cluster 3 dual apo structure
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
Authors:Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
Deposit date:2022-06-17
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
8DCW
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BU of 8dcw by Molmil
Lysozyme cluster 0062 (NAG and benzamidine ligands)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
Authors:Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
Deposit date:2022-06-17
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
8DCU
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BU of 8dcu by Molmil
Lysozyme cluster 0028 (benzamidine ligand)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
Authors:Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
Deposit date:2022-06-17
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
8DCV
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BU of 8dcv by Molmil
Lysozyme cluster 0043, NAG ligand
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
Authors:Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
Deposit date:2022-06-17
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
8DEO
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BU of 8deo by Molmil
Structure of AAP A domain and B-repeats (residues 351-813) from Staphylococcus epidermidis
Descriptor: Accumulation associated protein, CALCIUM ION, CHLORIDE ION
Authors:Harris, G, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R.
Deposit date:2022-06-21
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
8D9J
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BU of 8d9j by Molmil
SAMHD1-DNA complex
Descriptor: CALCIUM ION, DNA (5'-D(*CP*AP*AP*TP*G)-3'), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Hollis, T.J, Batalis, S.M.
Deposit date:2022-06-10
Release date:2023-07-05
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Protein oxidation increases SAMHD1 binding ssDNA via its regulatory site.
Nucleic Acids Res., 51, 2023
8E20
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BU of 8e20 by Molmil
Cryo-EM structure of the full-length human NF1 dimer
Descriptor: Isoform I of Neurofibromin
Authors:Darling, J.E, Merk, A, Grisshammer, R, Ognjenovic, J.
Deposit date:2022-08-12
Release date:2023-04-26
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Destabilizing NF1 variants act in a dominant negative manner through neurofibromin dimerization.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EDM
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BU of 8edm by Molmil
Cryo-EM structure of the full-length human NF1 dimer
Descriptor: Isoform I of Neurofibromin
Authors:Darling, J.E, Merk, A, Grisshammer, R, Ognjenovic, J.
Deposit date:2022-09-05
Release date:2023-09-27
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Destabilizing NF1 variants act in a dominant negative manner through neurofibromin dimerization.
Proc.Natl.Acad.Sci.USA, 120, 2023
3RO4
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BU of 3ro4 by Molmil
X-ray Structure of Ketohexokinase in complex with an indazole compound derivative
Descriptor: 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole, Ketohexokinase, SULFATE ION
Authors:Abad, M.C, Gibbs, A.C.
Deposit date:2011-04-25
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3RUG
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BU of 3rug by Molmil
Crystal structure of Valpha10-Vbeta8.1 NKT TCR in complex with CD1d-alphaglucosylceramide (C20:2)
Descriptor: (11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2011-05-05
Release date:2011-08-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A semi-invariant V(alpha)10(+) T cell antigen receptor defines a population of natural killer T cells with distinct glycolipid antigen-recognition properties
Nat.Immunol., 12, 2011
3S5N
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BU of 3s5n by Molmil
Crystal Structure of Human 4-hydroxy-2-oxoglutarate Aldolase
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-2-oxoglutarate aldolase, mitochondrial, ...
Authors:Riedel, T.J, Lowther, W.T.
Deposit date:2011-05-23
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Biochemical Studies of Human 4-hydroxy-2-oxoglutarate Aldolase: Implications for Hydroxyproline Metabolism in Primary Hyperoxaluria.
Plos One, 6, 2011
3SDL
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BU of 3sdl by Molmil
Crystal structure of human ISG15 in complex with NS1 N-terminal region from influenza B virus, Northeast Structural Genomics Consortium Target IDs HX6481, HR2873, and OR2
Descriptor: Non-structural protein 1, Ubiquitin-like protein ISG15
Authors:Guan, R, Ma, L.-C, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-06-09
Release date:2011-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis for the sequence-specific recognition of human ISG15 by the NS1 protein of influenza B virus.
Proc.Natl.Acad.Sci.USA, 108, 2011
3QI9
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BU of 3qi9 by Molmil
Crystal structure of mouse CD1d-alpha-phosphotidylinositol with mouse Valpha14-Vbeta6 2A3-D NKT TCR
Descriptor: 2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Clarke, A.J, Rossjohn, J.
Deposit date:2011-01-26
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A molecular basis for NKT cell recognition of CD1d-self-antigen
Immunity, 34, 2011
3TO4
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BU of 3to4 by Molmil
Structure of mouse Valpha14Vbeta2-mouseCD1d-alpha-Galactosylceramide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2011-09-04
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Vbeta2 natural killer T cell antigen receptor-mediated recognition of CD1d-glycolipid antigen.
Proc.Natl.Acad.Sci.USA, 108, 2011
3TI7
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BU of 3ti7 by Molmil
Crystal structure of the basic protease BprV from the ovine footrot pathogen, Dichelobacter nodosus
Descriptor: Basic extracellular subtilisin-like protease BprV, CALCIUM ION
Authors:Wong, W, Whisstock, J.C, Porter, C.J.
Deposit date:2011-08-20
Release date:2011-10-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:S1 Pocket of a Bacterially Derived Subtilisin-like Protease Underpins Effective Tissue Destruction.
J.Biol.Chem., 286, 2011
3RJM
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BU of 3rjm by Molmil
CASPASE2 IN COMPLEX WITH CHDI LIGAND 33c
Descriptor: Caspase-2, Peptide inhibitor (ACE)VDV(3PX)D-CHO
Authors:Abendroth, J, Lorimer, D, Stewart, L, Maillard, M, Kiselyov, A.S.
Deposit date:2011-04-15
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Exploiting differences in caspase-2 and -3 S(2) subsites for selectivity: Structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors.
Bioorg.Med.Chem., 19, 2011
4AIF
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BU of 4aif by Molmil
AIP TPR domain in complex with human Hsp90 peptide
Descriptor: AH RECEPTOR-INTERACTING PROTEIN, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION
Authors:Morgan, R.M.L, Roe, S.M, Pearl, L.H, Prodromou, C.
Deposit date:2012-02-09
Release date:2013-01-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Structure of the Tpr Domain of Aip: Lack of Client Protein Interaction with the C-Terminal Alpha-7 Helix of the Tpr Domain of Aip is Sufficient for Pituitary Adenoma Predisposition.
Plos One, 7, 2012
4APO
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BU of 4apo by Molmil
AIP TPR domain in complex with human Tomm20 peptide
Descriptor: AH RECEPTOR-INTERACTING PROTEIN, DODECAETHYLENE GLYCOL, MITOCHONDRIAL IMPORT RECEPTOR SUBUNIT TOM20 HOMOLOG, ...
Authors:Morgan, R.M.L, Roe, S.M, Pearl, L.H, Prodromou, C.
Deposit date:2012-04-04
Release date:2013-01-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Structure of the Tpr Domain of Aip: Lack of Client Protein Interaction with the C-Terminal Alpha-7 Helix of the Tpr Domain of Aip is Sufficient for Pituitary Adenoma Predisposition.
Plos One, 7, 2012
3U2Z
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BU of 3u2z by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-10-04
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
3TI9
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BU of 3ti9 by Molmil
Crystal structure of the basic protease BprB from the ovine footrot pathogen, Dichelobacter nodosus
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Wong, W, Whisstock, J.C, Porter, C.J.
Deposit date:2011-08-20
Release date:2011-10-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:S1 Pocket of a Bacterially Derived Subtilisin-like Protease Underpins Effective Tissue Destruction.
J.Biol.Chem., 286, 2011
3YPI
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BU of 3ypi by Molmil
ELECTROPHILIC CATALYSIS IN TRIOSEPHOSPHASE ISOMERASE: THE ROLE OF HISTIDINE-95
Descriptor: PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Lolis, E, Petsko, G.A.
Deposit date:1990-12-31
Release date:1993-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Electrophilic catalysis in triosephosphate isomerase: the role of histidine-95.
Biochemistry, 30, 1991
3S5O
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BU of 3s5o by Molmil
Crystal Structure of Human 4-hydroxy-2-oxoglutarate Aldolase Bound to Pyruvate
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-2-oxoglutarate aldolase, mitochondrial, ...
Authors:Riedel, T.J, Lowther, W.T.
Deposit date:2011-05-23
Release date:2011-10-26
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Biochemical Studies of Human 4-hydroxy-2-oxoglutarate Aldolase: Implications for Hydroxyproline Metabolism in Primary Hyperoxaluria.
Plos One, 6, 2011

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