3G0F
 
 | | KIT kinase domain mutant D816H in complex with sunitinib | | Descriptor: | Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, SULFATE ION | | Authors: | Gajiwala, K.S, Wu, J.C, Lunney, E.A, Demetri, G.D. | | Deposit date: | 2009-01-27 | | Release date: | 2009-02-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3G6H
 | | Src Thr338Ile inhibited in the DFG-Asp-Out conformation | | Descriptor: | N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Seeliger, M.A, Ranjitkar, P, Kasap, C, Shan, Y, Shaw, D.E, Shah, N.P, Kuriyan, J, Maly, D.J. | | Deposit date: | 2009-02-06 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations
Cancer Res., 69, 2009
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3FYY
 | | Crystal structure of divergent enolase from Oceanobacillus iheyensis complexed with Mg | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-01-23 | | Release date: | 2009-02-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
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3FZF
 | | Crystal Structure of Hsc70/Bag1 in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein | | Authors: | Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
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6LMI
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid | | Descriptor: | (2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase catalytic, ... | | Authors: | Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T. | | Deposit date: | 2019-12-25 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
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3FU2
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3FUP
 | | Crystal structures of JAK1 and JAK2 inhibitor complexes | | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK2 | | Authors: | Williams, N.K, Bamert, R.S, Patel, O, Fantino, E, Rossjohn, J, Lucet, I.S. | | Deposit date: | 2009-01-14 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains.
J.Mol.Biol., 387, 2009
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6LMQ
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid | | Descriptor: | (2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase catalytic, SULFATE ION, ... | | Authors: | Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T. | | Deposit date: | 2019-12-26 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
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2ERK
 | | PHOSPHORYLATED MAP KINASE ERK2 | | Descriptor: | EXTRACELLULAR SIGNAL-REGULATED KINASE 2 | | Authors: | Canagarajah, B.J, Goldsmith, E.J. | | Deposit date: | 1997-06-26 | | Release date: | 1998-07-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Activation mechanism of the MAP kinase ERK2 by dual phosphorylation.
Cell(Cambridge,Mass.), 90, 1997
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2ES0
 | | Structure of the regulator of G-protein signaling domain of RGS6 | | Descriptor: | regulator of G-protein signalling 6 | | Authors: | Schoch, G.A, Phillips, C, Turnbull, A, Niesen, F, Johansson, C, Elkins, J.M, Longman, E, Gilealdi, C, Sobott, F, Ball, L, Sundstrom, M, Edwards, A, Arrowsmith, C, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-10-25 | | Release date: | 2005-11-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2EY2
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1ANJ
 | | ALKALINE PHOSPHATASE (K328H) | | Descriptor: | ALKALINE PHOSPHATASE, PHOSPHATE ION, ZINC ION | | Authors: | Murphy, J.E, Tibbitts, T.T, Kantrowitz, E.R. | | Deposit date: | 1995-09-06 | | Release date: | 1996-01-29 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mutations at positions 153 and 328 in Escherichia coli alkaline phosphatase provide insight towards the structure and function of mammalian and yeast alkaline phosphatases.
J.Mol.Biol., 253, 1995
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1ANI
 | | ALKALINE PHOSPHATASE (D153H, K328H) | | Descriptor: | ALKALINE PHOSPHATASE, PHOSPHATE ION, ZINC ION | | Authors: | Murphy, J.E, Tibbitts, T.T, Kantrowitz, E.R. | | Deposit date: | 1995-09-06 | | Release date: | 1996-01-29 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutations at positions 153 and 328 in Escherichia coli alkaline phosphatase provide insight towards the structure and function of mammalian and yeast alkaline phosphatases.
J.Mol.Biol., 253, 1995
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7LTP
 | | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2021-02-19 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution.
To be Published
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2P90
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4Z82
 | | Cysteine bound rat cysteine dioxygenase C164S variant at pH 8.1 | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION | | Authors: | Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Kanitz, M, Jameson, G.N.L, Wilbanks, S.M. | | Deposit date: | 2015-04-08 | | Release date: | 2016-06-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Influence of cysteine 164 on active site structure in rat cysteine dioxygenase.
J.Biol.Inorg.Chem., 21, 2016
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4N38
 | | Structure of langerin CRD I313 D288 complexed with GlcNAc-beta1-3Gal-beta1-4GlcNAc-beta-CH2CH2N3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, C-type lectin domain family 4 member K, CALCIUM ION, ... | | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | | Deposit date: | 2013-10-06 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
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7LV5
 | | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2021-02-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution
To be Published
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7LW0
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7LX1
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7LUT
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6TR5
 | | Melatonin-Notum complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2019-12-17 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.509 Å) | | Cite: | Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
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4N5R
 | | Hen egg-white lysozyme phased using free-electron laser data | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C | | Authors: | Barends, T.R.M, Foucar, L, Botha, S, Doak, R.B, Shoeman, R.L, Nass, K, Koglin, J.E, Williams, G.J, Boutet, S, Messerschmidt, M, Schlichting, I. | | Deposit date: | 2013-10-10 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | De novo protein crystal structure determination from X-ray free-electron laser data.
Nature, 505, 2014
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7LVX
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8S9E
 | | Solution structure of jarastatin (rJast), a disintegrin from Bothrops jararaca | | Descriptor: | Disintegrin jarastatin | | Authors: | Vasconcelos, A.A, Estrada, J.E.C, Zingali, R.B, Almeida, F.C.L. | | Deposit date: | 2023-03-28 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Toward the mechanism of jarastatin (rJast) inhibition of the integrin alpha V beta 3.
Int.J.Biol.Macromol., 255, 2024
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