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1JYM
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BU of 1jym by Molmil
Crystals of Peptide Deformylase from Plasmodium falciparum with Ten Subunits per Asymmetric Unit Reveal Critical Characteristics of the Active Site for Drug Design
Descriptor: COBALT (II) ION, Peptide Deformylase
Authors:Kumar, A, Nguyen, K.T, Srivathsan, S, Ornstein, B, Turley, S, Hirsh, I, Pei, D, Hol, W.G.J.
Deposit date:2001-09-12
Release date:2002-03-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystals of peptide deformylase from Plasmodium falciparum reveal critical characteristics of the active site for drug design.
Structure, 10, 2002
1RL4
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BU of 1rl4 by Molmil
Plasmodium falciparum peptide deformylase complex with inhibitor
Descriptor: (2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}HEXANOIC ACID, 2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE, COBALT (II) ION, ...
Authors:Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G.J.
Deposit date:2003-11-24
Release date:2003-12-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:An improved crystal form of Plasmodium falciparum peptide deformylase.
Protein Sci., 13, 2004
1RQC
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BU of 1rqc by Molmil
Crystals of peptide deformylase from Plasmodium falciparum with ten subunits per asymmetric unit reveal critical characteristics of the active site for drug design
Descriptor: COBALT (II) ION, formylmethionine deformylase
Authors:Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G.
Deposit date:2003-12-04
Release date:2004-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An improved crystal form of Plasmodium falciparum peptide deformylase
Protein Sci., 13, 2004
4IA9
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BU of 4ia9 by Molmil
Crystal structure of human WD REPEAT DOMAIN 5 in complex with 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
Descriptor: 1,2-ETHANEDIOL, 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Dombrovski, L, Bolshan, Y, Getlik, M, Tempel, W, Kuznetsova, E, Wasney, G.A, Hajian, T, Poda, G, Nguyen, K.T, Schapira, M, Brown, P.J, Al-awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Smil, D, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-12-06
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction.
ACS Med Chem Lett, 4, 2013
3SMR
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BU of 3smr by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
3SX0
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BU of 3sx0 by Molmil
Crystal structure of Dot1l in complex with a brominated SAH analog
Descriptor: (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2011-07-14
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-11-21
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
7UYX
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BU of 7uyx by Molmil
Structure of bacteriophage PA1c gp2
Descriptor: Bacteriophage PA1C gp2
Authors:Enustun, E, Deep, A, Gu, Y, Nguyen, K, Chaikeeratisak, V, Armbruster, E, Ghassemian, M, Pogliano, J, Corbett, K.D.
Deposit date:2022-05-07
Release date:2023-05-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Identification of the bacteriophage nucleus protein interaction network.
Biorxiv, 2023
2F1G
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BU of 2f1g by Molmil
Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide
Descriptor: Cathepsin S, GLYCEROL, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE
Authors:Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K.
Deposit date:2005-11-14
Release date:2006-04-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3.
Bioorg.Med.Chem.Lett., 16, 2006
7WG4
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BU of 7wg4 by Molmil
DVAA-KlAte1
Descriptor: Arginyltransferase, ZINC ION
Authors:Kim, M.K, Kim, B.H, Oh, S.-J, Song, H.K.
Deposit date:2021-12-28
Release date:2022-09-14
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of the Ate1 arginyl-tRNA-protein transferase and arginylation of N-degron substrates.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WFX
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BU of 7wfx by Molmil
EVAA-KlAte1
Descriptor: Arginyltransferase, ZINC ION
Authors:Kim, M.K, Kim, B.H, Oh, S.-J, Song, H.K.
Deposit date:2021-12-27
Release date:2022-09-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the Ate1 arginyl-tRNA-protein transferase and arginylation of N-degron substrates.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WG1
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BU of 7wg1 by Molmil
DVAA-KlAte1
Descriptor: Arginyltransferase, ZINC ION
Authors:Kim, M.K, Kim, B.H, Oh, S.-J, Song, H.K.
Deposit date:2021-12-27
Release date:2022-09-14
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal structure of the Ate1 arginyl-tRNA-protein transferase and arginylation of N-degron substrates.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WG2
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BU of 7wg2 by Molmil
EVAA-KlAte1
Descriptor: Arginyltransferase, ZINC ION
Authors:Kim, M.K, Kim, B.H, Oh, S.-J, Song, H.K.
Deposit date:2021-12-28
Release date:2022-09-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of the Ate1 arginyl-tRNA-protein transferase and arginylation of N-degron substrates.
Proc.Natl.Acad.Sci.USA, 119, 2022
8EQ8
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BU of 8eq8 by Molmil
The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y130
Descriptor: 14-3-3 protein beta/alpha
Authors:Zhu, P, Cooley, R.B.
Deposit date:2022-10-07
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Genetic encoding of 3-nitro-tyrosine reveals the impacts of 14-3-3 nitration on client binding and dephosphorylation.
Protein Sci., 32, 2023
8EQH
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BU of 8eqh by Molmil
The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y213
Descriptor: 14-3-3 protein beta/alpha
Authors:Zhu, P, Cooley, R.B.
Deposit date:2022-10-07
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Genetic encoding of 3-nitro-tyrosine reveals the impacts of 14-3-3 nitration on client binding and dephosphorylation.
Protein Sci., 32, 2023
1OUK
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BU of 1ouk by Molmil
The structure of p38 alpha in complex with a pyridinylimidazole inhibitor
Descriptor: 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-24
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
4ER5
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BU of 4er5 by Molmil
Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
Descriptor: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER3
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BU of 4er3 by Molmil
Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777
Descriptor: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER6
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BU of 4er6 by Molmil
Crystal structure of human DOT1L in complex with inhibitor SGC0946
Descriptor: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, BROMIDE ION, Histone-lysine N-methyltransferase, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
2HH5
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BU of 2hh5 by Molmil
Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide
Descriptor: CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ...
Authors:Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S.
Deposit date:2006-06-27
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.
Bioorg.Med.Chem.Lett., 16, 2006
4EQZ
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BU of 4eqz by Molmil
Crystal structure of human DOT1L in complex with inhibitor FED2
Descriptor: 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER0
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BU of 4er0 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor FED1
Descriptor: 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER7
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BU of 4er7 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor SGC0947
Descriptor: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
3SMQ
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BU of 3smq by Molmil
Crystal structure of protein arginine methyltransferase 3
Descriptor: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ...
Authors:Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
3UWP
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Crystal structure of Dot1l in complex with 5-iodotubercidin
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2011-12-02
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012

217705

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