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4YU2
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BU of 4yu2 by Molmil
Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor
分子名称: (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ...
著者Chaikuad, A, Wurzlbauer, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-03-18
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine.
Molecules, 25, 2020
3FDT
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BU of 3fdt by Molmil
Crystal structure of the complex of human chromobox homolog 5 (CBX5) with H3K9(me)3 peptide
分子名称: Chromobox protein homolog 5, H3K9(me)3 peptide
著者Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2008-11-26
公開日2009-01-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
4Z30
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BU of 4z30 by Molmil
Crystal structure of the ROQ domain of human Roquin-2
分子名称: Roquin-2, UNKNOWN ATOM OR ION
著者DONG, A, ZHANG, Q, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC)
登録日2015-03-30
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献New Insights into the RNA-Binding and E3 Ubiquitin Ligase Activities of Roquins.
Sci Rep, 5, 2015
3DM1
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BU of 3dm1 by Molmil
Crystal structure of the complex of human chromobox homolog 3 (CBX3) with peptide
分子名称: Chromobox protein homolog 3, Histone-lysine N-methyltransferase, H3 lysine-9 specific 3
著者Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2008-06-30
公開日2008-08-19
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of the chromodomain of Cbx3 bound to methylated peptides from histone h1 and G9a.
Plos One, 7, 2012
3GV6
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BU of 3gv6 by Molmil
Crystal Structure of human chromobox homolog 6 (CBX6) with H3K9 peptide
分子名称: Chromobox protein homolog 6, Histone H3K9me3 peptide
著者Dong, A, Amaya, M.F, Li, Z, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2009-03-30
公開日2009-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3H91
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BU of 3h91 by Molmil
Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27 peptide
分子名称: Chromobox protein homolog 2, H3K27 peptide
著者Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2009-04-29
公開日2009-08-18
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3GG8
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BU of 3gg8 by Molmil
Crystal structure of the Toxoplasma gondii Pyruvate Kinase N terminal truncated
分子名称: GLYCEROL, Pyruvate kinase, SULFATE ION
著者Wernimont, A.K, Lew, J, Allali-Hassani, A, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hills, T, Schapira, M, Hui, R, Pizarro, J.C, Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The crystal structure of Toxoplasma gondii pyruvate kinase 1.
Plos One, 5, 2010
3GG3
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BU of 3gg3 by Molmil
Crystal Structure of the Bromodomain of Human PCAF
分子名称: CHLORIDE ION, Histone acetyltransferase PCAF
著者Filippakopoulos, P, Keates, T, Picaud, S, Rehana, K, Fedorov, O, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-03-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3FLV
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BU of 3flv by Molmil
The crystal structure of human acyl-CoenzymeA binding domain containing 5
分子名称: Acyl-CoA-binding domain-containing protein 5, COENZYME A, STEARIC ACID, ...
著者Ugochukwu, E, Roos, A, Yue, W.W, Shafqat, N, Salah, E, Savitsky, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-12-19
公開日2009-02-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of human acyl-Coenzyme A binding domain containing 5
To be Published
3EOE
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BU of 3eoe by Molmil
Crystal Structure of Pyruvate Kinase from toxoplasma gondii, 55.m00007
分子名称: GLYCEROL, Pyruvate kinase
著者Wernimont, A.K, Lew, J, Kozieradzki, I, Wasney, G, Hassani, A, Vedadi, M, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Structural Genomics Consortium (SGC)
登録日2008-09-26
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The crystal structure of Toxoplasma gondii pyruvate kinase 1.
Plos One, 5, 2010
3EP0
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BU of 3ep0 by Molmil
Methyltransferase domain of human PR domain-containing protein 12
分子名称: PR domain zinc finger protein 12
著者Amaya, M.F, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Min, J, Plotnikov, A.N, Wu, H, Structural Genomics Consortium (SGC)
登録日2008-09-29
公開日2008-11-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of methyltransferase domain of human PR Domain-containing protein 12.
To be Published
3H5Z
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BU of 3h5z by Molmil
Crystal Structure of Leishmania major N-myristoyltransferase with bound myristoyl-CoA
分子名称: 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ...
著者Qiu, W, Hutchinson, A, Lin, Y.-H, Wernimont, A, Mackenzie, F, Ravichandran, M, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Fairlamb, A.H, Hui, R, Structural Genomics Consortium (SGC)
登録日2009-04-22
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献N-myristoyltransferase inhibitors as new leads to treat sleeping sickness.
Nature, 464, 2010
3GVU
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BU of 3gvu by Molmil
The crystal structure of human ABL2 in complex with GLEEVEC
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Tyrosine-protein kinase ABL2
著者Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Filippakopoulos, P, Roos, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-03-31
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The crystal structure of human ABL2 in complex with GLEEVEC
To be Published
3H8V
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BU of 3h8v by Molmil
Human Ubiquitin-activating Enzyme 5 in Complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Ubiquitin-like modifier-activating enzyme 5, ZINC ION
著者Walker, J.R, Bacik, J.P, Rastgoo, N, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-04-29
公開日2009-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the human ubiquitin-activating enzyme 5 (UBA5) bound to ATP: mechanistic insights into a minimalistic E1 enzyme.
J.Biol.Chem., 285, 2010
3H9E
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BU of 3h9e by Molmil
Crystal structure of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase (GAPDS) complex with NAD and phosphate
分子名称: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, testis-specific, ...
著者Chaikuad, A, Shafqat, N, Yue, W, Cocking, R, Bray, J.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-04-30
公開日2009-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure and kinetic characterization of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase, GAPDS.
Biochem.J., 435, 2011
3H9F
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BU of 3h9f by Molmil
Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand
分子名称: 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION
著者Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-04-30
公開日2009-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
3H8H
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BU of 3h8h by Molmil
Structure of the C-terminal domain of human RNF2/RING1B;
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RING2, GLYCEROL, ...
著者Walker, J.R, Bezsonova, I, Bacik, J, Duan, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-04-29
公開日2009-06-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ring1B contains a ubiquitin-like docking module for interaction with Cbx proteins.
Biochemistry, 48, 2009
8PDI
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BU of 8pdi by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1763271112
分子名称: (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-07-26
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8QZ3
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BU of 8qz3 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb67)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Nanobody 67, POTASSIUM ION, ...
著者Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2023-10-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
2YDX
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BU of 2ydx by Molmil
Crystal structure of human S-adenosylmethionine synthetase 2, beta subunit
分子名称: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, CALCIUM ION, METHIONINE ADENOSYLTRANSFERASE 2 SUBUNIT BETA, ...
著者Muniz, J.R.C, Shafqat, N, Pike, A.C.W, Yue, W.W, Vollmar, M, Papagriogriou, V, Roos, A, Gileadi, O, von Delft, F, Kavanagh, K.L, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
登録日2011-03-25
公開日2011-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Insight Into S-Adenosylmethionine Biosynthesis from the Crystal Structures of the Human Methionine Adenosyltransferase Catalytic and Regulatory Subunits.
Biochem.J., 452, 2013
8QZ4
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BU of 8qz4 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb76)
分子名称: BARIUM ION, CHOLESTEROL HEMISUCCINATE, Nanobody 76, ...
著者Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2023-10-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8QZ1
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BU of 8qz1 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with a nanobody (Nb58)
分子名称: Isoform B of Potassium channel subfamily K member 10, Nanobody 58, POTASSIUM ION
著者Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2023-10-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (3.588 Å)
主引用文献Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8QZ2
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BU of 8qz2 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an inhibitory nanobody (Nb61)
分子名称: Nanobody 61, POTASSIUM ION, Potassium channel subfamily K member 10
著者Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2023-10-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
3D7C
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BU of 3d7c by Molmil
Crystal structure of the bromodomain of human GCN5, the general control of amino-acid synthesis protein 5-like 2
分子名称: General control of amino acid synthesis protein 5-like 2
著者Filippakopoulos, P, Eswaran, J, Picaud, S, Fedorov, O, Murray, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-05-21
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3CQV
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BU of 3cqv by Molmil
Crystal structure of Reverb beta in complex with heme
分子名称: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING FE
著者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)
登録日2008-04-03
公開日2008-08-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural basis of gas-responsive transcription by the human nuclear hormone receptor REV-ERBbeta.
Plos Biol., 7, 2009

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