3P78
 
 | | P38 inhibitor-bound | | Descriptor: | 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Moffett, K.K, Namboodiri, H. | | Deposit date: | 2010-10-12 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
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3P7B
 | | p38 inhibitor-bound | | Descriptor: | 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Moffett, K.K, Namboodiri, H. | | Deposit date: | 2010-10-12 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
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3P79
 | | P38 inhibitor-bound | | Descriptor: | 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Moffett, K.K, Namboodiri, H. | | Deposit date: | 2010-10-12 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
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1YGU
 | | Crystal structure of the tandem phosphatase domains of RPTP CD45 with a pTyr peptide | | Descriptor: | Leukocyte common antigen, Polyoma Middle T antigen | | Authors: | Nam, H, Poy, F, Saito, H, Frederick, C.A. | | Deposit date: | 2005-01-05 | | Release date: | 2005-02-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the function and regulation of the receptor protein tyrosine phosphatase CD45.
J.Exp.Med., 201, 2005
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2JMK
 | | Solution structure of ta0956 | | Descriptor: | Hypothetical protein Ta0956 | | Authors: | Koo, B, Jung, J, Jung, H, Nam, H, Kim, Y, Yee, A, Arrowsmith, C.H, Lee, W. | | Deposit date: | 2006-11-20 | | Release date: | 2007-10-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the hypothetical novel-fold protein TA0956 from Thermoplasma acidophilum
Proteins, 69, 2007
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6S1X
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6RBC
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor KB1157 | | Descriptor: | (2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Barinka, C, Kutil, Z. | | Deposit date: | 2019-04-10 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen.
J.Med.Chem., 63, 2020
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8GZC
 | | Crystal structure of EP300 HAT domain in complex with compound 10 | | Descriptor: | (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2022-09-26 | | Release date: | 2023-01-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of DS-9300: A Highly Potent, Selective, and Once-Daily Oral EP300/CBP Histone Acetyltransferase Inhibitor.
J.Med.Chem., 66, 2023
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3ABZ
 | | Crystal structure of Se-Met labeled Beta-glucosidase from Kluyveromyces marxianus | | Descriptor: | Beta-glucosidase I, GLYCEROL | | Authors: | Yoshida, E, Hidaka, M, Fushinobu, S, Katayama, T, Kumagai, H. | | Deposit date: | 2009-12-25 | | Release date: | 2010-08-11 | | Last modified: | 2013-10-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Role of a PA14 domain in determining substrate specificity of a glycoside hydrolase family 3 beta-glucosidase from Kluyveromyces marxianus.
Biochem.J., 431, 2010
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3AC0
 | | Crystal structure of Beta-glucosidase from Kluyveromyces marxianus in complex with glucose | | Descriptor: | Beta-glucosidase I, beta-D-glucopyranose | | Authors: | Yoshida, E, Hidaka, M, Fushinobu, S, Katayama, T, Kumagai, H. | | Deposit date: | 2009-12-25 | | Release date: | 2010-08-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Role of a PA14 domain in determining substrate specificity of a glycoside hydrolase family 3 beta-glucosidase from Kluyveromyces marxianus.
Biochem.J., 431, 2010
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7UJ4
 | | Inhibition of Human Menin by SNDX-5613 | | Descriptor: | 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION | | Authors: | McKeever, B.M, Kulkarni, S, McGeehan, G.M. | | Deposit date: | 2022-03-30 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
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7K15
 | | Crystal structure of the Human Leukotriene B4 Receptor 1 in Complex with Selective Antagonist MK-D-046 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FLAVIN MONONUCLEOTIDE, HEXAETHYLENE GLYCOL, ... | | Authors: | Michaelian, N, Han, G.W, Cherezov, V. | | Deposit date: | 2020-09-07 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Structural insights on ligand recognition at the human leukotriene B4 receptor 1.
Nat Commun, 12, 2021
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5AZ4
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5ZE9
 | | Crystal structure of AMP-PNP bound mutant A3B3 complex from Enterococcus hirae V-ATPase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Maruyama, S, Suzuki, K, Sasaki, H, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T. | | Deposit date: | 2018-02-27 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Metastable asymmetrical structure of a shaftless V1motor.
Sci Adv, 5, 2019
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6JZJ
 | | Structure of FimA type-2 (FimA2) prepilin of the type V major fimbrium | | Descriptor: | Major fimbrium subunit FimA type-2, SULFATE ION | | Authors: | Okada, K, Shoji, M, Nakayam, K, Imada, K. | | Deposit date: | 2019-05-02 | | Release date: | 2020-04-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of polymerized type V pilin reveals assembly mechanism involving protease-mediated strand exchange.
Nat Microbiol, 5, 2020
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8E90
 | | Inhibition of Human Menin by SNDX-5613 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ... | | Authors: | McKeever, B.M, KULKARNI, S, McGeehan, G.M. | | Deposit date: | 2022-08-26 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
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8F76
 | | Human olfactory receptor OR51E2 bound to propionate in complex with miniGs399 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Billesboelle, C.B, Manglik, A. | | Deposit date: | 2022-11-18 | | Release date: | 2023-03-22 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of odorant recognition by a human odorant receptor.
Nature, 615, 2023
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5ZEA
 | | Crystal structure of the nucleotide-free mutant A3B3 | | Descriptor: | GLYCEROL, V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B | | Authors: | Maruyama, S, Suzuki, K, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T. | | Deposit date: | 2018-02-27 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.384 Å) | | Cite: | Metastable asymmetrical structure of a shaftless V1motor.
Sci Adv, 5, 2019
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6JZK
 | | Structure of FimA type-1 (FimA1) prepilin of the type V major fimbrium | | Descriptor: | GLYCEROL, Major fimbrium subunit FimA type-1, S,R MESO-TARTARIC ACID, ... | | Authors: | Okada, K, Shoji, M, Nakayam, K, Imada, K. | | Deposit date: | 2019-05-02 | | Release date: | 2020-04-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of polymerized type V pilin reveals assembly mechanism involving protease-mediated strand exchange.
Nat Microbiol, 5, 2020
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1AVK
 | | CRYSTAL STRUCTURES OF THE COPPER-CONTAINING AMINE OXIDASE FROM ARTHROBACTER GLOBIFORMIS IN THE HOLO-AND APO-FORMS: IMPLICATIONS FOR THE BIOGENESIS OF TOPA QUINONE | | Descriptor: | AMINE OXIDASE | | Authors: | Wilce, M.C.J, Guss, J.M, Freeman, H.C, Tanizawa, K, Yamaguchi, H. | | Deposit date: | 1997-09-16 | | Release date: | 1998-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the copper-containing amine oxidase from Arthrobacter globiformis in the holo and apo forms: implications for the biogenesis of topaquinone.
Biochemistry, 36, 1997
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1AV4
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1AVL
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3B1S
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3B0Z
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