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6U8G
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BU of 6u8g by Molmil
BRD4-BD2 in complex with the cyclic peptide 3.1_2_AcK7toA
Descriptor: Bromodomain-containing protein 4, cyclic peptide 3.1_2_AcK7toA
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S.
Deposit date:2019-09-05
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U72
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BU of 6u72 by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA
Descriptor: 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S.
Deposit date:2019-08-31
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U61
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BU of 6u61 by Molmil
BRD2-BD1 in complex with the cyclic peptide 3.1_3
Descriptor: Bromodomain-containing protein 2, ZINC ION, cyclic peptide 3.1_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-28
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U6L
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BU of 6u6l by Molmil
BRD4-BD2 in complex with the cyclic peptide 3.1_2
Descriptor: AMINO GROUP, Bromodomain-containing protein 4, Cyclic peptide 3.1_2, ...
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-30
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U8H
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BU of 6u8h by Molmil
BRD2-BD1 in complex with the cyclic peptide 3.2_2
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, AMINO GROUP, Bromodomain-containing protein 2, ...
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-09-05
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U8M
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BU of 6u8m by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.2_1
Descriptor: AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_1
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-09-05
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ULQ
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BU of 6ulq by Molmil
BRD2-BD1 in complex with the cyclic peptide 4.2_3
Descriptor: Bromodomain-containing protein 2, Cyclic peptide 4.2_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-10-08
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ULV
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BU of 6ulv by Molmil
BRD4-BD1 in complex with the cyclic peptide 4.2_1
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bromodomain-containing protein 4, Cyclic peptide 4.2_3, ...
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-10-08
Release date:2020-12-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ULP
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BU of 6ulp by Molmil
BRD3-BD2 in complex with the cyclic peptide 3.2_3
Descriptor: Bromodomain-containing protein 3, Cyclic peptide 3.2_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-10-08
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U74
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BU of 6u74 by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.1_2
Descriptor: Bromodomain-containing protein 4, cyclic peptide 3.1_2
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-31
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U8I
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BU of 6u8i by Molmil
BRD4-BD2 in complex with the cyclic peptide 3.2_2
Descriptor: AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_2
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-09-05
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ULT
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BU of 6ult by Molmil
BRD2-BD2 in complex with the cyclic peptide 4.2_3
Descriptor: Bromodomain-containing protein 2, Cyclic peptide 4.2_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-10-08
Release date:2021-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
7E5E
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BU of 7e5e by Molmil
Crystal structure of GDP-bound GNAS in complex with the cyclic peptide inhibitor GD20
Descriptor: CHLORIDE ION, GD20, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Hu, Q, Dai, S, Shokat, K.M.
Deposit date:2021-02-18
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:State-selective modulation of heterotrimeric G alpha s signaling with macrocyclic peptides.
Cell, 185, 2022
3VVP
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BU of 3vvp by Molmil
Crystal structure of MATE in complex with Br-NRF
Descriptor: 6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid, Putative uncharacterized protein
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2012-07-27
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3VVR
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BU of 3vvr by Molmil
Crystal structure of MATE in complex with MaD5
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein, macrocyclic peptide
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2012-07-27
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3VVS
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BU of 3vvs by Molmil
Crystal structure of MATE in complex with MaD3S
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein, macrocyclic peptide
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2012-07-27
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3VVO
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BU of 3vvo by Molmil
Crystal structure of MATE in the bent conformation
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2012-07-27
Release date:2013-04-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3VVN
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BU of 3vvn by Molmil
Crystal structure of MATE in the straight conformation
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2012-07-27
Release date:2013-04-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3WBN
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BU of 3wbn by Molmil
Crystal structure of MATE in complex with MaL6
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MaL6, Putative uncharacterized protein
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2013-05-20
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3W4T
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BU of 3w4t by Molmil
Crystal structure of MATE P26A mutant
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2013-01-16
Release date:2013-04-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
6LYC
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BU of 6lyc by Molmil
Crystal structure of the NOD SIRPa complex with D4-2
Descriptor: ACETIC ACID, D4-2, SIRPa of the NOD mouse strain
Authors:Murata, Y, Matsuda, M, Nakagawa, A, Matozaki, T.
Deposit date:2020-02-14
Release date:2020-07-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Macrocyclic Peptide-Mediated Blockade of the CD47-SIRP alpha Interaction as a Potential Cancer Immunotherapy.
Cell Chem Biol, 27, 2020
7TO9
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BU of 7to9 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.4xE (diAcK.4xE)
Descriptor: 2xAcK.4xE (diAcK.4xE), Bromodomain-containing protein 3, GLYCEROL
Authors:Mackay, J.P, Low, J.K.K, Patel, K.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TOA
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BU of 7toa by Molmil
BRD3-BD1 in complex with RaPID linear peptide 3xAcK.1 (triAcK.1)
Descriptor: 3xAcK.1 (triAcK.1), Bromodomain-containing protein 3, GLYCEROL
Authors:Patel, K, Low, J.K.K, Mackay, J.P.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TO8
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BU of 7to8 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.1 (diAcK.1)
Descriptor: 2xAcK.1 (diAcK.1), Bromodomain-containing protein 3, GLYCEROL
Authors:Patel, K, Low, J.K.K, Mackay, J.P.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TO7
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BU of 7to7 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 1xAcK.4XE (monoAcK.4xE)
Descriptor: 1xAcK.4xE (monoAcK.4xE), Bromodomain-containing protein 3, GLYCEROL
Authors:Mackay, J.P, Low, J.K.K, Patel, K.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023

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PDB entries from 2024-05-29

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