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3Q02
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BU of 3q02 by Molmil
Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Plasminogen activator inhibitor 1, ...
Authors:Jensen, J.K, Morth, J.P.
Deposit date:2010-12-15
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of plasminogen activator inhibitor-1 in an active conformation with normal thermodynamic stability.
J.Biol.Chem., 286, 2011
6ULX
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BU of 6ulx by Molmil
Adenylation domain of a keto acid-selecting NRPS module bound to keto acyl adenylate space group P43212
Descriptor: 5'-O-{(S)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine, Amino acid adenylation domain-containing protein, SULFATE ION
Authors:Alonzo, D.A, Chiche-Lapierre, C, Schmeing, T.M.
Deposit date:2019-10-08
Release date:2020-02-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
3POV
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BU of 3pov by Molmil
Crystal structure of a SOX-DNA complex
Descriptor: DNA (5'-D(*GP*GP*GP*AP*TP*CP*CP*TP*CP*CP*CP*AP*GP*TP*CP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*GP*AP*CP*TP*AP*GP*GP*AP*GP*GP*AP*TP*CP*CP*C)-3'), FORMIC ACID, ...
Authors:Bagneris, C, Barrett, T.E.
Deposit date:2010-11-23
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a KSHV-SOX-DNA complex: insights into the molecular mechanisms underlying DNase activity and host shutoff
Nucleic Acids Res., 39, 2011
4JQV
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BU of 4jqv by Molmil
HLA-B*18:01 in complex with Epstein-Barr virus BZLF1-derived peptide (residues 173-180)
Descriptor: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Theodossis, A, Welland, A, Gras, S, Rossjohn, J.
Deposit date:2013-03-20
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:HLA Peptide Length Preferences Control CD8+ T Cell Responses.
J.Immunol., 191, 2013
4L1A
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BU of 4l1a by Molmil
Crystallographic study of multi-drug resistant HIV-1 protease Lopinavir complex: mechanism of drug recognition and resistance
Descriptor: MDR769 HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
Authors:Liu, Z, Yedidi, R.S, Wang, Y, Dewdney, T, Reiter, S, Brunzelle, J, Kovari, I, Kovari, L.
Deposit date:2013-06-03
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic study of multi-drug resistant HIV-1 protease lopinavir complex: mechanism of drug recognition and resistance.
Biochem.Biophys.Res.Commun., 437, 2013
4JQX
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BU of 4jqx by Molmil
HLA-B*44:03 in complex with Epstein-Barr virus BZLF1-derived peptide (residues 169-180)
Descriptor: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
Authors:Theodossis, A, Welland, A, Gras, S, Rossjohn, J.
Deposit date:2013-03-20
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HLA Peptide Length Preferences Control CD8+ T Cell Responses.
J.Immunol., 191, 2013
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
3P5J
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BU of 3p5j by Molmil
The structure of the human RNase H2 complex defines key interaction interfaces relevant to enzyme function and human disease
Descriptor: Ribonuclease H2 subunit A, Ribonuclease H2 subunit B, Ribonuclease H2 subunit C
Authors:Bubeck, D, Graham, S.C, Jones, E.Y.
Deposit date:2010-10-08
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Structure of the Human RNase H2 Complex Defines Key Interaction Interfaces Relevant to Enzyme Function and Human Disease.
J.Biol.Chem., 286, 2011
4LED
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BU of 4led by Molmil
The Crystal Structure of Pyocin L1 bound to D-rhamnose at 2.37 Angstroms
Descriptor: Pyocin L1, alpha-D-rhamnopyranose
Authors:Grinter, R, Roszak, A.W, Mccaughey, L, Cogdell, C.J, Walker, D.
Deposit date:2013-06-25
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Lectin-Like Bacteriocins from Pseudomonas spp. Utilise D-Rhamnose Containing Lipopolysaccharide as a Cellular Receptor.
Plos Pathog., 10, 2014
3PSX
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BU of 3psx by Molmil
Crystal structure of the KT2 mutant of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-12-02
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant
Dalton Trans, 40, 2011
3Q03
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BU of 3q03 by Molmil
Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation.
Descriptor: CHLORIDE ION, Plasminogen activator inhibitor 1, ZINC ION
Authors:Jensen, J.K, Morth, J.P.
Deposit date:2010-12-15
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6401 Å)
Cite:Crystal structure of plasminogen activator inhibitor-1 in an active conformation with normal thermodynamic stability.
J.Biol.Chem., 286, 2011
2DG2
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BU of 2dg2 by Molmil
Crystal Structure of Mouse Apolipoprotein A-I Binding Protein
Descriptor: Apolipoprotein A-I binding protein, CHLORIDE ION, SULFATE ION
Authors:Shumilin, I.A, Jha, K.N, Zheng, H, Chruszcz, M, Cymborowski, M, Herr, J.C, Minor, W.
Deposit date:2006-03-08
Release date:2007-03-27
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Biochemical and structural characterization of apolipoprotein A-I binding protein, a novel phosphoprotein with a potential role in sperm capacitation.
Endocrinology, 149, 2008
2BCO
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BU of 2bco by Molmil
X-ray structure of succinylglutamate desuccinalase from Vibrio Parahaemolyticus (RIMD 2210633) at the resolution 2.3 A, Northeast Structural Genomics Target Vpr14
Descriptor: Succinylglutamate desuccinylase, ZINC ION
Authors:Kuzin, A.P, Abashidze, M, Forouhar, F, Benach, J, Zhou, W, Acton, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-10-19
Release date:2005-10-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:X-ray structure of succinylglutamate desuccinalase from Vibrio Parahaemolyticus (RIMD 2210633) at the resolution 2.3 A, Northeast Structural Genomics Target Vpr14
To be Published
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
6VBX
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BU of 6vbx by Molmil
Crystal structure of Mcl-1 in complex with 138E12 peptide, Lys-covalent antagonist
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic peptide
Authors:Pellecchia, M, Perry, J.J, Kenjic, N, Assar, Z.
Deposit date:2019-12-19
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, Synthesis, and Structural Characterization of Lysine Covalent BH3 Peptides Targeting Mcl-1.
J.Med.Chem., 64, 2021
4LEA
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BU of 4lea by Molmil
The Crystal Structure of Pyocin L1 bound to D-mannose at 2.55 Angstroms
Descriptor: Pyocin L1, beta-D-mannopyranose
Authors:Grinter, R, Roszak, A.W, Mccaughey, L, Cogdell, C.J, Walker, D.
Deposit date:2013-06-25
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Lectin-Like Bacteriocins from Pseudomonas spp. Utilise D-Rhamnose Containing Lipopolysaccharide as a Cellular Receptor.
Plos Pathog., 10, 2014
4LE7
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BU of 4le7 by Molmil
The Crystal Structure of Pyocin L1 at 2.09 Angstroms
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Pyocin L1
Authors:Grinter, R, Roszak, A.W, Mccaughey, L, Cogdell, R.J, Walker, D.
Deposit date:2013-06-25
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Lectin-Like Bacteriocins from Pseudomonas spp. Utilise D-Rhamnose Containing Lipopolysaccharide as a Cellular Receptor.
Plos Pathog., 10, 2014
4K25
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BU of 4k25 by Molmil
Crystal Structure of yeast Qri7 homodimer
Descriptor: CALCIUM ION, Probable tRNA threonylcarbamoyladenosine biosynthesis protein QRI7, mitochondrial, ...
Authors:Neculai, D, Wan, L, Mao, D.Y, Sicheri, F.
Deposit date:2013-04-08
Release date:2013-05-08
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Reconstitution and characterization of eukaryotic N6-threonylcarbamoylation of tRNA using a minimal enzyme system.
Nucleic Acids Res., 41, 2013
3PE6
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BU of 3pe6 by Molmil
Crystal Structure of a soluble form of human MGLL in complex with an inhibitor
Descriptor: (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone, Monoglyceride lipase
Authors:Schubert, C, Schalk-Hih, C.
Deposit date:2010-10-25
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 A resolution.
Protein Sci., 20, 2011
4MD0
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BU of 4md0 by Molmil
Immune Receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Citrullinated Vimentin, ...
Authors:Scally, S.W, Rossjohn, J.
Deposit date:2013-08-22
Release date:2013-12-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis.
J.Exp.Med., 210, 2013
4MDI
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BU of 4mdi by Molmil
Immune Receptor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scally, S.W, Rossjohn, J.
Deposit date:2013-08-22
Release date:2013-12-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis.
J.Exp.Med., 210, 2013
4MDJ
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BU of 4mdj by Molmil
Immune Receptor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scally, S.W, Rossjohn, J.
Deposit date:2013-08-22
Release date:2013-12-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis.
J.Exp.Med., 210, 2013
4MD4
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BU of 4md4 by Molmil
Immune Receptor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scally, S.W, Rossjohn, J.
Deposit date:2013-08-22
Release date:2013-12-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis.
J.Exp.Med., 210, 2013
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
4MCZ
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BU of 4mcz by Molmil
Immune Receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Citrullinated Vimentin, HLA class II histocompatibility antigen, ...
Authors:Scally, S.W, Rossjohn, J.
Deposit date:2013-08-22
Release date:2013-12-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis.
J.Exp.Med., 210, 2013

223532

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