2JJ9
 
 | | Crystal structure of myosin-2 in complex with ADP-metavanadate | | Descriptor: | ADP METAVANADATE, MAGNESIUM ION, MYOSIN-2 HEAVY CHAIN | | Authors: | Fedorov, R, Boehl, M, Tsiavaliaris, G, Hartmann, F.K, Baruch, P, Brenner, B, Martin, R, Knoelker, H.J, Gutzeit, H.O, Manstein, D.J. | | Deposit date: | 2008-03-25 | | Release date: | 2009-01-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Mechanism of Pentabromopseudilin Inhibition of Myosin Motor Activity.
Nat.Struct.Mol.Biol., 16, 2009
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6Q48
 | | CDK2 in complex with FragLite7 | | Descriptor: | 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q4H
 | | CDK2 in complex with FragLite36 | | Descriptor: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6QH5
 | | AP2 clathrin adaptor mu2T156-phosphorylated core in closed conformation | | Descriptor: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | | Authors: | Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. | | Deposit date: | 2019-01-15 | | Release date: | 2019-09-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
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2IUS
 | | E. coli FtsK motor domain | | Descriptor: | DNA TRANSLOCASE FTSK | | Authors: | Massey, T.H, Mercogliano, C.P, Yates, J, Sherratt, D.J, Lowe, J. | | Deposit date: | 2006-06-07 | | Release date: | 2006-08-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Double-Stranded DNA Translocation: Structure and Mechanism of Hexameric Ftsk
Mol.Cell, 23, 2006
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2IUT
 | | P. aeruginosa FtsK motor domain, dimeric | | Descriptor: | DNA TRANSLOCASE FTSK, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Massey, T.H, Mercogliano, C.P, Yates, J, Sherratt, D.J, Lowe, J. | | Deposit date: | 2006-06-07 | | Release date: | 2006-08-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Double-Stranded DNA Translocation: Structure and Mechanism of Hexameric Ftsk
Mol.Cell, 23, 2006
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2IUU
 | | P. aeruginosa FtsK motor domain, hexamer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA TRANSLOCASE FTSK | | Authors: | Massey, T.H, Mercogliano, C.P, Yates, J, Sherratt, D.J, Lowe, J. | | Deposit date: | 2006-06-07 | | Release date: | 2006-08-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Double-Stranded DNA Translocation: Structure and Mechanism of Hexameric Ftsk
Mol.Cell, 23, 2006
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2M3I
 | | Characterization of a Novel Alpha4/6-Conotoxin TxIC from Conus textile that Potently Blocks alpha3beta4 Nicotinic Acetylcholine Receptors | | Descriptor: | Alpha-conotoxin | | Authors: | Luo, S, Zhangsun, D, Zhu, X, Wu, Y, Hu, Y, Christensen, S, Akcan, M, Craik, D.J, McIntosh, J.M. | | Deposit date: | 2013-01-20 | | Release date: | 2013-12-04 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Characterization of a Novel alpha-Conotoxin TxID from Conus textile That Potently Blocks Rat alpha 3 beta 4 Nicotinic Acetylcholine Receptors.
J.Med.Chem., 56, 2013
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6QH6
 | | AP2 clathrin adaptor core with two cargo peptides in open+ conformation | | Descriptor: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | | Authors: | Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. | | Deposit date: | 2019-01-15 | | Release date: | 2019-09-04 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (5 Å) | | Cite: | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
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6Q4E
 | | CDK2 in complex with FragLite33 | | Descriptor: | 6-iodanyl-7~{H}-purin-2-amine, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q4K
 | | CDK2 in complex with FragLite38 | | Descriptor: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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2M79
 | | [Asp2,11]RTD-1 | | Descriptor: | [Asp2,11]RTD-1 | | Authors: | Conibear, A.C, Bochen, A, Rosengren, K, Kessler, H, Craik, D.J. | | Deposit date: | 2013-04-19 | | Release date: | 2014-02-05 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Cyclic Cystine Ladder of Theta-Defensins as a Stable, Bifunctional Scaffold: A Proof-of-Concept Study Using the Integrin-Binding RGD Motif
Chembiochem, 15, 2014
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2N1L
 | | Solution structure of the BCOR PUFD | | Descriptor: | BCL-6 corepressor | | Authors: | Wong, S.J, Gearhart, M.D, Ha, D.J, Corcoran, C.M, Diaz, V, Taylor, A.B, Schirf, V, Ilangovan, U, Hinck, A.P, Demeler, B, Hart, J, Bardwell, V.J, Kim, C.A. | | Deposit date: | 2015-04-06 | | Release date: | 2016-04-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the hierarchical assembly of the core of PRC1.1
To be Published
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6QL8
 | | Cathepsin-K in complex with MIV-711 | | Descriptor: | Cathepsin K, NITRATE ION, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-01-31 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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6Q3F
 | | CDK2 in complex with FragLite2 | | Descriptor: | 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6QH7
 | | AP2 clathrin adaptor mu2T156-phosphorylated core with two cargo peptides in open+ conformation | | Descriptor: | ADAPTOR-RELATED PROTEIN COMPLEX 2, MU 2 SUBUNIT, C-TERMINAL DOMAIN, ... | | Authors: | Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. | | Deposit date: | 2019-01-15 | | Release date: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
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2JGT
 | | Low resolution structure of SPT | | Descriptor: | SERINE PALMITOYLTRANSFERASE | | Authors: | Yard, B.A, Carter, L.G, Johnson, K.A, Overton, I.M, Mcmahon, S.A, Dorward, M, Liu, H, Puech, D, Oke, M, Barton, G.J, Naismith, J.H, Campopiano, D.J. | | Deposit date: | 2007-02-14 | | Release date: | 2007-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis.
J.Mol.Biol., 370, 2007
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2JKR
 | | AP2 CLATHRIN ADAPTOR CORE with Dileucine peptide RM(phosphoS)QIKRLLSE | | Descriptor: | AP-2 COMPLEX SUBUNIT ALPHA-2, AP-2 COMPLEX SUBUNIT BETA-1, AP-2 COMPLEX SUBUNIT MU-1, ... | | Authors: | Owen, D.J, McCoy, A.J, Kelly, B.T, Evans, P.R. | | Deposit date: | 2008-08-29 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | A Structural Explanation for the Binding of Endocytic Dileucine Motifs by the Ap2 Complex.
Nature, 456, 2008
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2JMJ
 | | NMR solution structure of the PHD domain from the yeast YNG1 protein in complex with H3(1-9)K4me3 peptide | | Descriptor: | Histone H3, Protein YNG1, ZINC ION | | Authors: | Ilin, S, Taverna, S.D, Rogers, R.S, Tanny, J.C, Lavender, H, Li, H, Baker, L, Boyle, J, Blair, L.P, Chait, B.T, Patel, D.J, Aitchison, J.D, Tackett, A.J, Allis, C.D. | | Deposit date: | 2006-11-15 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Yng1 PHD finger binding to H3 trimethylated at K4 promotes NuA3 HAT activity at K14 of H3 and transcription at a subset of targeted ORFs
Mol.Cell, 24, 2006
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6QLM
 | | Cathepsin-K in complex with MIV-701 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, GLYCEROL, ... | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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6QM0
 | | Cathepsin-K in complex with amino-oxaazabicyclo[3.3.0]octanyl containing inhibitor | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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2J52
 | | Solution Structure of GB1 domain Protein G and low and high pressure. | | Descriptor: | IMMUNOGLOBULIN G-BINDING PROTEIN G | | Authors: | Wilton, D.J, Tunnicliffe, R.B, Kamatari, Y.O, Akasaka, K, Williamson, M.P. | | Deposit date: | 2006-09-11 | | Release date: | 2007-09-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Pressure-Induced Changes in the Solution Structure of the Gb1 Domain of Protein G.
Proteins, 71, 2008
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2JCQ
 | | The hyaluronan binding domain of murine CD44 in a Type A complex with an HA 8-mer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD44 ANTIGEN, GLYCEROL | | Authors: | Banerji, S, Wright, A.J, Noble, M.E.M, Mahoney, D.J, Campbell, I.D, Day, A.J, Jackson, D.G. | | Deposit date: | 2007-01-03 | | Release date: | 2007-01-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structures of the Cd44-Hyaluronan Complex Provide Insight Into a Fundamental Carbohydrate-Protein Interaction.
Nat.Struct.Mol.Biol., 14, 2008
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2JDQ
 | | C-terminal domain of influenza A virus polymerase PB2 subunit in complex with human importin alpha5 | | Descriptor: | IMPORTIN ALPHA-1 SUBUNIT, POLYMERASE BASIC PROTEIN 2 | | Authors: | Tarendeau, F, Guilligay, D, Mas, P, Boulo, S, Baudin, F, Ruigrok, R.W.H, Hart, D.J, Cusack, S. | | Deposit date: | 2007-01-11 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Nuclear Import Function of the C- Terminal Domain of Influenza Virus Polymerase Pb2 Subunit
Nat.Struct.Mol.Biol., 14, 2007
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6QLX
 | | Cathepsin-K in complex with fluoro-oxa-azabicyclo[3.3.0]octanyl containing inhibitor | | Descriptor: | Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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