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3ROO
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BU of 3roo by Molmil
Murine class I major histocompatibility complex H-2Kb in complex with immunodominant LCMV-derived gp34-41 peptide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Madhurantakam, C, Duru, A.D, Leong, C, Sandalova, T, Webb, J.R, Achour, A.
Deposit date:2011-04-26
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nitro-tyrosination of the immunodominant LCMV epitope gp34-41 alters both its capacity to stabilize H-2Kb and the molecular surface of the MHC complex, affecting TCR recognition
PLoS ONE, 2012
3TBY
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BU of 3tby by Molmil
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P, Y4F)
Descriptor: Beta-2-microglobulin, GLYCOPROTEIN GPC, H-2 class I histocompatibility antigen, ...
Authors:Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A.
Deposit date:2011-08-08
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
3TBT
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BU of 3tbt by Molmil
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P, Y4S)
Descriptor: Beta-2-microglobulin, GLYCOPROTEIN G1, H-2 class I histocompatibility antigen, ...
Authors:Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A.
Deposit date:2011-08-08
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
3TBS
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BU of 3tbs by Molmil
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX THE WITH LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P,Y4A)
Descriptor: Beta-2-microglobulin, GLYCEROL, GLYCOPROTEIN G1, ...
Authors:Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A.
Deposit date:2011-08-08
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
3S7F
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BU of 3s7f by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
Descriptor: (R,R)-2,3-BUTANEDIOL, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
Authors:Ferguson, A.D.
Deposit date:2011-05-26
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3S26
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BU of 3s26 by Molmil
Crystal Structure of Murine Siderocalin (Lipocalin 2, 24p3)
Descriptor: Neutrophil gelatinase-associated lipocalin, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Correnti, C, Bandaranayake, A.D, Strong, R.K.
Deposit date:2011-05-16
Release date:2011-09-28
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Daedalus: a robust, turnkey platform for rapid production of decigram quantities of active recombinant proteins in human cell lines using novel lentiviral vectors.
Nucleic Acids Res., 39, 2011
3S7J
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BU of 3s7j by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
Descriptor: N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Ferguson, A.D.
Deposit date:2011-05-26
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3TBV
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BU of 3tbv by Molmil
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (A2G,V3P,Y4A)
Descriptor: Beta-2-microglobulin, GLYCEROL, Glycoprotein G1, ...
Authors:Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A.
Deposit date:2011-08-08
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
3QUL
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BU of 3qul by Molmil
Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4S)
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A.
Deposit date:2011-02-24
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics.
Eur.J.Immunol., 42, 2012
3TBW
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BU of 3tbw by Molmil
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (A2G, V3P, Y4S)
Descriptor: Beta-2-microglobulin, GLYCOPROTEIN GPC, H-2 class I histocompatibility antigen, ...
Authors:Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A.
Deposit date:2011-08-08
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
3ROL
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BU of 3rol by Molmil
Murine class I major histocompatibility complex H-2Kb in complex with post-translationally modified LCMV-derived gp34-41 peptide, comprising a nitrotyrosine at position 3
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Madhurantakam, C, Duru, A.D, Leong, C, Sandalova, T, Webb, J.R, Achour, A.
Deposit date:2011-04-26
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nitro-tyrosination of the immunodominant LCMV epitope gp34-41 alters both its capacity to stabilize H-2Kb and the molecular surface of the MHC complex, affecting TCR recognition
PLoS ONE, 2012
3TW6
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BU of 3tw6 by Molmil
Structure of Rhizobium etli pyruvate carboxylase T882A with the allosteric activator, acetyl coenzyme-A
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:St Maurice, M, Kumar, S, Lietzan, A.D.
Deposit date:2011-09-21
Release date:2011-10-19
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interaction between the biotin carboxyl carrier domain and the biotin carboxylase domain in pyruvate carboxylase from Rhizobium etli.
Biochemistry, 50, 2011
6MDR
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BU of 6mdr by Molmil
Cryo-EM structure of the Ceru+32/GFP-17 protomer
Descriptor: Ceru+32, GFP-17
Authors:Simon, A.J, Zhou, Y, Ramasubramani, V, Glaser, J, Pothukuchy, A, Golihar, J, Gerberich, J.C, Leggere, J.C, Morrow, B.R, Jung, C, Glotzer, S.C, Taylor, D.W, Ellington, A.D.
Deposit date:2018-09-05
Release date:2019-01-23
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Supercharging enables organized assembly of synthetic biomolecules.
Nat Chem, 11, 2019
6MUZ
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BU of 6muz by Molmil
Lysozyme, room temperature structure solved by serial 3 degree oscillation crystallography
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Kriksunov, I, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-10-24
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
6MSF
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BU of 6msf by Molmil
F6 APTAMER MS2 COAT PROTEIN COMPLEX
Descriptor: PROTEIN (MS2 PROTEIN CAPSID), RNA (5'-R(*CP*AP*GP*UP*CP*AP*CP*UP*GP*G)-3'), RNA (5'-R(*CP*CP*AP*CP*AP*GP*UP*CP*AP*CP*UP*GP*GP*G)-3')
Authors:Convery, M.A, Rowsell, S, Stonehouse, N.J, Ellington, A.D, Hirao, I, Murray, J.B, Peabody, D.S, Phillips, S.E.V, Stockley, P.G.
Deposit date:1998-01-06
Release date:1998-07-08
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of an RNA aptamer-protein complex at 2.8 A resolution.
Nat.Struct.Biol., 5, 1998
6MUY
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BU of 6muy by Molmil
Fluoroacetate dehalogenase, room temperature structure solved by serial 3 degree oscillation crystallography
Descriptor: CALCIUM ION, Fluoroacetate dehalogenase
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-10-24
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
6N00
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BU of 6n00 by Molmil
Fluoroacetate dehalogenase, room temperature structure, using last 1 degree of total 3 degree oscillation and 144 kGy dose
Descriptor: CALCIUM ION, Fluoroacetate dehalogenase
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-11-06
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
6N95
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BU of 6n95 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA
Descriptor: (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, DI(HYDROXYETHYL)ETHER, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
6N03
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BU of 6n03 by Molmil
CO-bound Sperm Whale Myoglobin, room temperature structure, last 2 degrees of 5 degree total oscillation and 160 kGy dose
Descriptor: CARBON MONOXIDE, Myoglobin, CO-bound, ...
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-11-06
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
6N96
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BU of 6n96 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-oxa(dethia)-CoA
Descriptor: (2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, IMIDAZOLE, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
6MV0
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BU of 6mv0 by Molmil
CO-bound Sperm Whale Myoglobin, room temperature structure solved by serial 5degree oscillation crystallography
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-10-24
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
6N93
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BU of 6n93 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-oxa(dethia)-CoA
Descriptor: (2E)-2-(hydroxyimino)propanoic acid, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
6MZZ
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BU of 6mzz by Molmil
Fluoroacetate dehalogenase, room temperature structure, using first 1 degree of total 3 degree oscillation
Descriptor: CALCIUM ION, Fluoroacetate dehalogenase
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-11-06
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
6NV9
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BU of 6nv9 by Molmil
BACE1 in complex with a macrocyclic inhibitor
Descriptor: (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 1, SULFATE ION
Authors:Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
Deposit date:2019-02-04
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
6NW3
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BU of 6nw3 by Molmil
BACE1 in complex with a macrocyclic inhibitor
Descriptor: Beta-secretase 1, N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, SULFATE ION
Authors:Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
Deposit date:2019-02-05
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019

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