3DS6
 
 | | P38 complex with a phthalazine inhibitor | | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | | Authors: | Herberich, B, Syed, R, Li, V, Grosfeld, D. | | Deposit date: | 2008-07-11 | | Release date: | 2008-10-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
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3DT1
 | | P38 Complexed with a quinazoline inhibitor | | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | | Authors: | Herberich, B, Syed, R, Li, V, Tasker, A.S. | | Deposit date: | 2008-07-14 | | Release date: | 2008-10-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
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8BMV
 | | Ligand binding domain of the P. Putida receptor McpH in complex with Uric acid | | Descriptor: | Methyl-accepting chemotaxis protein McpH, URIC ACID | | Authors: | Gavira, J.A, Krell, T, Fernandez, M, Martinez-Rodriguez, S. | | Deposit date: | 2022-11-11 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Ubiquitous purine sensor modulates diverse signal transduction pathways in bacteria.
Nat Commun, 15, 2024
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3ASY
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8SU0
 | | Unliganded F96H epi-Isozizaene Synthase | | Descriptor: | Epi-isozizaene synthase, SULFATE ION | | Authors: | Eaton, S.A, Christianson, D.W. | | Deposit date: | 2023-05-11 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
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8VE3
 | | Unliganded human transthyretin in the compressed conformation | | Descriptor: | Transthyretin | | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | | Deposit date: | 2023-12-18 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
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8VE2
 | | Unliganded human transthyretin in the canonical conformation | | Descriptor: | Transthyretin | | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | | Deposit date: | 2023-12-18 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
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8VE4
 | | Unliganded human transthyretin in the frayed conformation | | Descriptor: | Transthyretin | | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | | Deposit date: | 2023-12-18 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
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1NY2
 | | Human alpha thrombin inhibited by RPPGF and hirugen | | Descriptor: | Hirugen, Inhibitor peptide RPPGF, thrombin Heavy chain, ... | | Authors: | Krishnan, R, Tulinsky, A, Schmaier, A.H, Hasan, A.A, Warnock, M, Srikanth, S, Mahdi, F. | | Deposit date: | 2003-02-11 | | Release date: | 2003-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanisms of Arg-Pro-Pro-Gly-Phe inhibition of thrombin.
Am.J.Physiol.Heart Circ.Physiol., 285, 2003
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7OFK
 | | Ligand complex of RORg LBD | | Descriptor: | (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | | Authors: | Xue, Y, Aagaard, A, Narjes, F. | | Deposit date: | 2021-05-05 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
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6AF3
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7C1X
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4QAO
 | | Lysine-ligated cytochrome c with F82H | | Descriptor: | Cytochrome c iso-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Amacher, J.F, Zhu, M.Q, Zhong, F, Pletneva, E.K, Madden, D.R. | | Deposit date: | 2014-05-05 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Understanding PDZ Affinity and Selectivity: All Residues Considered
Thesis, 2014
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3QGZ
 | | Re-investigated high resolution crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from rabbit complexed with adenosine | | Descriptor: | ADENOSINE, Histidine triad nucleotide-binding protein 1 | | Authors: | Dolot, R.M, Ozga, M, Krakowiak, A, Nawrot, B, Stec, W.J. | | Deposit date: | 2011-01-25 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-resolution X-ray crystal structure of rabbit histidine triad nucleotide-binding protein 1 (rHINT1) - adenosine complex at 1.10A resolution
Acta Crystallogr.,Sect.D, 67, 2011
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4QVJ
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2KP8
 | | Ligand bound to a model peptide that mimics the open fusogenic form | | Descriptor: | 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, Model peptide | | Authors: | Olejniczak, E.T. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.
Bioorg.Med.Chem.Lett., 20, 2010
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6AF4
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2VWR
 | | Crystal structure of the second pdz domain of numb-binding protein 2 | | Descriptor: | LIGAND OF NUMB PROTEIN X 2 | | Authors: | Roos, A.K, Guo, K, Burgess-Brown, N, Yue, W.W, Elkins, J.M, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C.H, Wikstom, M, Edwards, A, von Delft, F, Bountra, C, Doyle, D, Oppermann, U. | | Deposit date: | 2008-06-26 | | Release date: | 2008-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of the Second Pdz Domain of the Human Numb-Binding Protein 2
To be Published
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4QV2
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4QVA
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6PHH
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6C4J
 | | Ligand bound full length hUGDH with A104L substitution | | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-1,2-PROPANEDIOL, ... | | Authors: | Beattie, N.R, Pioso, B.J, Wood, Z.A, Sidlo, A.M. | | Deposit date: | 2018-01-12 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Hysteresis and Allostery in Human UDP-Glucose Dehydrogenase Require a Flexible Protein Core.
Biochemistry, 57, 2018
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6O18
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6TVE
 | | Unliganded human CD73 (5'-nucleotidase) in the open state | | Descriptor: | 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Scaletti, E, Strater, N. | | Deposit date: | 2020-01-09 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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5FB7
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