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PDB: 1306 results

3F7I
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BU of 3f7i by Molmil
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ...
Authors:Franklin, M.C, Fairbrother, W.J, Cohen, F.
Deposit date:2008-11-09
Release date:2009-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
8PDH
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BU of 8pdh by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1742148362
Descriptor: (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
Deposit date:2023-06-12
Release date:2023-06-28
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8PDJ
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BU of 8pdj by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z56948267
Descriptor: 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
Deposit date:2023-06-12
Release date:2023-06-28
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8PDG
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BU of 8pdg by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z2738285202
Descriptor: DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N}-(8-chloranylquinolin-2-yl)propanamide
Authors:Bradshaw, W.J, Moreira, T, Scacioc, A, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
Deposit date:2023-06-12
Release date:2023-06-28
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
3F7H
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BU of 3f7h by Molmil
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ...
Authors:Franklin, M.C, Fairbrother, W.J, Cohen, F.
Deposit date:2008-11-09
Release date:2009-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
8PDI
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BU of 8pdi by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1763271112
Descriptor: (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
Deposit date:2023-06-12
Release date:2023-07-26
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
5J6A
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BU of 5j6a by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46
Descriptor: (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
Authors:Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T.
Deposit date:2016-04-04
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.045 Å)
Cite:Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60, 2017
3F7G
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BU of 3f7g by Molmil
Structure of the BIR domain from ML-IAP bound to a peptidomimetic
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Baculoviral IAP repeat-containing protein 7, L-alanyl-L-valyl-N-(2,2-diphenylethyl)-L-prolinamide, ...
Authors:Franklin, M.C, Fairbrother, W.J, Cohen, F.
Deposit date:2008-11-09
Release date:2009-03-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
6XTJ
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BU of 6xtj by Molmil
The high resolution structure of the FERM domain of human FERMT2
Descriptor: CITRIC ACID, Fermitin family homolog 2,Fermitin family homolog 2,Fermitin family homolog 2
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-01-16
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The high resolution structure of the FERM domain of human FERMT2
To Be Published
2CNP
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BU of 2cnp by Molmil
HIGH RESOLUTION SOLUTION STRUCTURE OF APO RABBIT CALCYCLIN, NMR, 22 STRUCTURES
Descriptor: CALCYCLIN
Authors:Maler, L, Potts, B.C.M, Chazin, W.J.
Deposit date:1999-01-07
Release date:1999-07-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High resolution solution structure of apo calcyclin and structural variations in the S100 family of calcium-binding proteins.
J.Biomol.NMR, 13, 1999
8QID
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BU of 8qid by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment
Descriptor: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QJ8
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BU of 8qj8 by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QIX
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BU of 8qix by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QKS
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BU of 8qks by Molmil
Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to R5.034
Descriptor: Immunoglobulin lambda variable 1-36, R5034HV, Reticulocyte-binding protein-like protein 5
Authors:Wright, N.D, Barrett, J.R, Bradshaw, W.J, Paterson, N.G, MacLean, E.M, Ferreira, L, McHugh, K, Von Delft, F, Koekemoer, L, Draper, S.J.
Deposit date:2023-09-16
Release date:2024-07-31
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (3.994 Å)
Cite:Analysis of the diverse antigenic landscape of the malaria protein RH5 identifies a potent vaccine-induced human public antibody clonotype.
Cell, 2024
8QIY
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BU of 8qiy by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.5149 Å)
Cite:A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QKR
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BU of 8qkr by Molmil
Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to R5.251
Descriptor: R5251VHCH, R5251VLCL, Reticulocyte-binding protein-like protein 5
Authors:Wright, N.D, Barrett, J.R, Bradshaw, W.J, Paterson, N.G, MacLean, E.M, Ferreira, L, McHugh, K, Koekemoer, L, Draper, S.J.
Deposit date:2023-09-16
Release date:2024-07-31
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (3.234 Å)
Cite:Analysis of the diverse antigenic landscape of the malaria protein RH5 identifies a potent vaccine-induced human public antibody clonotype.
Cell, 2024
8CIS
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BU of 8cis by Molmil
The FERM domain of human moesin with two bound peptides identified by phage display
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, C3P, ...
Authors:Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIU
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BU of 8ciu by Molmil
The FERM domain of human moesin mutant H288A
Descriptor: Moesin
Authors:Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIT
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BU of 8cit by Molmil
The FERM domain of human moesin mutant L281R
Descriptor: Moesin
Authors:Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.536 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIR
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BU of 8cir by Molmil
The FERM domain of human moesin with a bound peptide identified by phage display
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ...
Authors:Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIA
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BU of 8cia by Molmil
Crystal structure of the kelch domain of human KLHL20
Descriptor: Kelch like family member 20, Kelch-like protein 20
Authors:Sweeney, M.N, Bradshaw, W.J, Chen, Z, Bullock, A.N.
Deposit date:2023-02-09
Release date:2023-03-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:Crystal structure of the kelch domain of human KLHL20
To Be Published
4TSS
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BU of 4tss by Molmil
TOXIC SHOCK SYNDROME TOXIN-1: TETRAGONAL P4(1)2(1)2 CRYSTAL FORM
Descriptor: TOXIC SHOCK SYNDROME TOXIN-1, ZINC ION
Authors:Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H.
Deposit date:1996-12-11
Release date:1997-12-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity.
Protein Sci., 6, 1997
4U9D
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BU of 4u9d by Molmil
Crystal Structure of the Zn-directed tetramer of the engineered cyt cb562 variant, AB3
Descriptor: HEME C, Soluble cytochrome b562, ZINC ION
Authors:Tezcan, F.A, Song, W.J.
Deposit date:2014-08-05
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A designed supramolecular protein assembly with in vivo enzymatic activity.
Science, 346, 2014
4U5M
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BU of 4u5m by Molmil
Structure of a left-handed DNA G-quadruplex
Descriptor: DNA (28-MER), MAGNESIUM ION, POTASSIUM ION
Authors:Schmitt, E, Mechulam, Y, Phan, A.T, Brahim, H, Chung, W.J, Lim, K.W.
Deposit date:2014-07-25
Release date:2015-02-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a left-handed DNA G-quadruplex.
Proc.Natl.Acad.Sci.USA, 112, 2015
4U9E
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BU of 4u9e by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, A104/57G AB3
Descriptor: CALCIUM ION, HEME C, Soluble cytochrome b562, ...
Authors:Tezcan, F.A, Song, W.J.
Deposit date:2014-08-06
Release date:2015-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A designed supramolecular protein assembly with in vivo enzymatic activity
Science, 346, 2014

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