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PDB: 3972 results

4BW5
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BU of 4bw5 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CADMIUM ION, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, ...
Authors:Pike, A.C.W, Dong, Y.Y, Dong, L, Quigley, A, Shrestha, L, Mukhopadhyay, S, Strain-Damerell, C, Goubin, S, Grieben, M, Shintre, C.A, Mackenzie, A, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N, Carpenter, E.P.
Deposit date:2013-06-30
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:K2P Channel Gating Mechanisms Revealed by Structures of Trek-2 and a Complex with Prozac
Science, 347, 2015
2XIQ
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BU of 2xiq by Molmil
Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin and malonyl-CoA
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, MALONYL-COENZYME A, ...
Authors:Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Ugochukwu, E, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2010-06-30
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
6TTK
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BU of 6ttk by Molmil
Crystal structure of the kelch domain of human KLHL12 in complex with DVL1 peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DVL1, ...
Authors:Chen, Z, Williams, E, Pike, A.C.W, Strain-Damerell, C, Wang, D, Chalk, R, Burgess-Brown, N, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-12-27
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.383 Å)
Cite:Identification of a PGXPP degron motif in dishevelled and structural basis for its binding to the E3 ligase KLHL12.
Open Biology, 10, 2020
5FE5
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BU of 5fe5 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment MB093 (fragment 7)
Descriptor: 1,2-ETHANEDIOL, 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, DIMETHYL SULFOXIDE, ...
Authors:Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FE1
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BU of 5fe1 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment BR004 (fragment 1)
Descriptor: 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, Histone acetyltransferase KAT2B
Authors:Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FE8
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BU of 5fe8 by Molmil
Crystal structure of human PCAF bromodomain in complex with compound SL1126 (compound 12)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone acetyltransferase KAT2B, ...
Authors:Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
3PKJ
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BU of 3pkj by Molmil
Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose
Descriptor: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2010-11-11
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
2WWP
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BU of 2wwp by Molmil
Crystal structure of the human lipocalin-type prostaglandin D synthase
Descriptor: CHLORIDE ION, PROSTAGLANDIN-H2 D-ISOMERASE, THIOCYANATE ION
Authors:Roos, A.K, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotyenova, T, Kotzch, A, Kraulis, P, Markova, N, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-10-26
Release date:2010-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Dynamic Insights Into Substrate Binding and Catalysis of Human Lipocalin Prostaglandin D Synthase.
J.Lipid Res., 54, 2013
5LAR
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BU of 5lar by Molmil
Crystal structure of p38 alpha MAPK14 in complex with VPC00628
Descriptor: 5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Chaikuad, A, Petersen, L.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-06-14
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel p38alpha MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library
Medchemcomm, 7, 2016
3I3T
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BU of 3i3t by Molmil
Crystal structure of covalent ubiquitin-USP21 complex
Descriptor: ETHANAMINE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 21, ...
Authors:Neculai, D, Avvakumov, G.V, Walker, J.R, Xue, S, Butler-Cole, C, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
2X47
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BU of 2x47 by Molmil
Crystal structure of human MACROD1
Descriptor: MACRO DOMAIN-CONTAINING PROTEIN 1, SULFATE ION
Authors:Vollmar, M, Phillips, C, Mehrotra, P.V, Ahel, I, Krojer, T, Yue, W, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O.
Deposit date:2010-01-28
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of Macro Domain Proteins as Novel O-Acetyl-Adp-Ribose Deacetylases.
J.Biol.Chem., 286, 2011
5HTC
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BU of 5htc by Molmil
Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372
Descriptor: (2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name), (4S)-2-METHYL-2,4-PENTANEDIOL, ARC-3372 INHIBITOR, ...
Authors:Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-01-26
Release date:2016-03-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta Crystallogr.,Sect.F, 72, 2016
3Q2E
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BU of 3q2e by Molmil
Crystal structure of the second bromodomain of human bromodomain and WD repeat-containing protein 1 isoform A (WDR9)
Descriptor: ACETATE ION, Bromodomain and WD repeat-containing protein 1
Authors:Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Krojer, T, Muniz, J, Gileadi, O, Von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-12-20
Release date:2011-02-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3TYY
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BU of 3tyy by Molmil
Crystal Structure of Human Lamin-B1 Coil 2 Segment
Descriptor: Lamin-B1
Authors:Lam, R, Xu, C, Bian, C.B, Mackenzie, F, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-09-26
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Crystal structures of the coil 2B fragment and the globular tail domain of human lamin B1.
Febs Lett., 586, 2012
3CQV
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BU of 3cqv by Molmil
Crystal structure of Reverb beta in complex with heme
Descriptor: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Xu, X, Dong, A, Pardee, K.I, Reinking, J, Krause, H, Schuetz, A, Zhang, R, Cui, H, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Savchenko, A, Botchkarev, A, Structural Genomics Consortium (SGC)
Deposit date:2008-04-03
Release date:2008-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structural basis of gas-responsive transcription by the human nuclear hormone receptor REV-ERBbeta.
Plos Biol., 7, 2009
4O46
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BU of 4o46 by Molmil
14-3-3-gamma in complex with influenza NS1 C-terminal tail phosphorylated at S228
Descriptor: 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ...
Authors:Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
2XIJ
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BU of 2xij by Molmil
Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXYADENOSINE, ...
Authors:Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Vollmar, M, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2010-06-30
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
2XS6
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BU of 2xs6 by Molmil
CRYSTAL STRUCTURE OF THE RHOGAP DOMAIN OF HUMAN PIK3R2
Descriptor: CHLORIDE ION, PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT BETA
Authors:Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
Deposit date:2010-09-24
Release date:2010-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Structure and Catalytic Mechanism of Human Sphingomyelin Phosphodiesterase Like 3A - an Acid Sphingomyelinase Homolog with a Novel Nucleotide Hydrolase Activity.
FEBS J., 283, 2016
2XWC
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BU of 2xwc by Molmil
Crystal structure of the DNA binding domain of human TP73 refined at 1.8 A resolution
Descriptor: GLYCEROL, TRIS(HYDROXYETHYL)AMINOMETHANE, TUMOUR PROTEIN P73, ...
Authors:Canning, P, Zhang, Y, Vollmar, M, Krojer, T, Ugochukwu, E, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2010-11-03
Release date:2010-11-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Basis for Aspp2 Recognition by the Tumor Suppressor P73.
J.Mol.Biol., 423, 2012
3CZU
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BU of 3czu by Molmil
Crystal structure of the human ephrin A2- ephrin A1 complex
Descriptor: Ephrin type-A receptor 2, Ephrin-A1, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Wikstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-04-30
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
3QK3
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BU of 3qk3 by Molmil
Crystal structure of human beta-crystallin B3
Descriptor: 1,2-ETHANEDIOL, Beta-crystallin B3, SULFATE ION
Authors:Krojer, T, Gileadi, C, Cocking, R, Muniz, J, Pilka, E, Yue, W.W, Vollmar, M, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2011-01-31
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:

5A7W
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BU of 5a7w by Molmil
Crystal structure of human JMJD2A in complex with compound 35
Descriptor: 1,2-ETHANEDIOL, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
Deposit date:2015-07-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
4C57
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BU of 4c57 by Molmil
Structure of GAK kinase in complex with a nanobody
Descriptor: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, 1,2-ETHANEDIOL, Cyclin-G-associated kinase, ...
Authors:Chaikuad, A, Keates, T, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
Deposit date:2013-09-10
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies.
Biochem.J., 459, 2014
5A7S
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BU of 5a7s by Molmil
Crystal structure of human JMJD2A in complex with compound 44
Descriptor: 1,2-ETHANEDIOL, 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
4C58
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BU of 4c58 by Molmil
Structure of GAK kinase in complex with nanobody (NbGAK_4)
Descriptor: 1,2-ETHANEDIOL, 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Cyclin-G-associated kinase, ...
Authors:Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
Deposit date:2013-09-10
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014

223790

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