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7MI1
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BU of 7mi1 by Molmil
X-ray structure of yeast dynein motor domain in the presence of a pyrazolo-pyrimidinone-based compound (compound 20)
Descriptor: Chimera protein of Dynein and Endolysin
Authors:Santarossa, C.C, Ekiert, D.C, Bhabha, G, Kapoor, T.M.
Deposit date:2021-04-16
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Targeting allostery in the Dynein motor domain with small molecule inhibitors.
Cell Chem Biol, 28, 2021
3HPH
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BU of 3hph by Molmil
Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD
Descriptor: GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ...
Authors:Hare, S, Wang, J, Cherepanov, P.
Deposit date:2009-06-04
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for functional tetramerization of lentiviral integrase
Plos Pathog., 5, 2009
3HPG
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BU of 3hpg by Molmil
Visna virus integrase (residues 1-219) in complex with LEDGF IBD: examples of open integrase dimer-dimer interfaces
Descriptor: Integrase, PC4 and SFRS1-interacting protein, ZINC ION
Authors:Hare, S, Labeja, A, Cherepanov, P.
Deposit date:2009-06-04
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural basis for functional tetramerization of lentiviral integrase
Plos Pathog., 5, 2009
3I6C
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BU of 3i6c by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (II)
Descriptor: 3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Greasley, S.E, Ferre, R.A.
Deposit date:2009-07-06
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (II).
Bioorg.Med.Chem.Lett., 20, 2010
3IKD
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BU of 3ikd by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D, Greasley, S, Ferre, R, Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
4DXR
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BU of 4dxr by Molmil
Human SUN2-KASH1 complex
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, Nesprin-1, POTASSIUM ION, ...
Authors:Sosa, B, Schwartz, T.U.
Deposit date:2012-02-28
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:LINC Complexes Form by Binding of Three KASH Peptides to Domain Interfaces of Trimeric SUN Proteins.
Cell(Cambridge,Mass.), 149, 2012
3IK8
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BU of 3ik8 by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D, Greasley, S, Ferre, R.A, Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
7NND
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BU of 7nnd by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 09
Descriptor: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NMX
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BU of 7nmx by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 12
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CALCIUM ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-23
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NPG
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BU of 7npg by Molmil
Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide and fragment 22
Descriptor: 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-26
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NMW
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BU of 7nmw by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 40
Descriptor: 14-3-3 protein sigma, 5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-23
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NNE
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BU of 7nne by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 22
Descriptor: 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NPB
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BU of 7npb by Molmil
Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide and fragment 09
Descriptor: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-26
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NMA
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BU of 7nma by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-23
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NN2
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BU of 7nn2 by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 41
Descriptor: 14-3-3 protein sigma, 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NP2
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BU of 7np2 by Molmil
Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-26
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
3IKG
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BU of 3ikg by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Parge, H, Ferre, R.A, Greasley, S, Matthews, D.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
4DC9
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BU of 4dc9 by Molmil
Hexameric ring of Methanococcus voltae RadA
Descriptor: DNA repair and recombination protein radA, NITRATE ION
Authors:Du, L, Luo, Y.
Deposit date:2012-01-17
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a hexameric form of RadA recombinase from Methanococcus voltae.
Acta Crystallogr.,Sect.F, 68, 2012
6SVH
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BU of 6svh by Molmil
Protein allostery of the WW domain at atomic resolution: FFpSPR bound structure
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R.
Deposit date:2019-09-18
Release date:2020-09-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
6MYR
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BU of 6myr by Molmil
Avian mitochondrial complex II with thiapronil bound
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Huang, L.-S, Luemmen, P, Berry, E.A.
Deposit date:2018-11-02
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
3KAG
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BU of 3kag by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
6SVE
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BU of 6sve by Molmil
Protein allostery of the WW domain at atomic resolution: pCdc25C bound structure
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R.
Deposit date:2019-09-18
Release date:2020-10-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
6MXT
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BU of 6mxt by Molmil
Crystal structure of human beta2 adrenergic receptor bound to salmeterol and Nb71
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endolysin, ...
Authors:Masureel, M, Zou, Y, Picard, L.P, van der Westhuizen, E, Mahoney, J.P, Rodrigues, J.P.G.L.M, Mildorf, T.J, Dror, R.O, Shaw, D.E, Bouvier, M, Pardon, E, Steyaert, J, Sunahara, R.K, Weis, W.I, Zhang, C, Kobilka, B.K.
Deposit date:2018-10-31
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95934224 Å)
Cite:Structural insights into binding specificity, efficacy and bias of a beta2AR partial agonist.
Nat. Chem. Biol., 14, 2018
3KCE
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BU of 3kce by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: 5-methyl-1H-indole-2-carboxylic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
Deposit date:2009-10-21
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
6MYQ
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BU of 6myq by Molmil
Avian mitochondrial complex II with ferulenol bound
Descriptor: (~{Z})-2-oxidanylbut-2-enedioic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, ...
Authors:Berry, E.A, Huang, L.-S.
Deposit date:2018-11-02
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021

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