7MJ8
 
 | | HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide | | Descriptor: | Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ... | | Authors: | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | | Deposit date: | 2021-04-19 | | Release date: | 2021-08-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs.
Nature, 599, 2021
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7M5U
 | | Crystal structure of human MPP8 chromodomain in complex with peptidomimetic ligand UNC5246 | | Descriptor: | M-phase phosphoprotein 8, UNC5246 | | Authors: | Budziszewski, G.R, McGinty, R.K, Waybright, J.M, Norris, J.L, James, L.I. | | Deposit date: | 2021-03-24 | | Release date: | 2021-09-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A Peptidomimetic Ligand Targeting the Chromodomain of MPP8 Reveals HRP2's Association with the HUSH Complex.
Acs Chem.Biol., 16, 2021
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3UCB
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | Authors: | Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T. | | Deposit date: | 2011-10-26 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
Biochemistry, 51, 2012
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3UFN
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Saquinavir | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, HIV-1 protease | | Authors: | Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T. | | Deposit date: | 2011-11-01 | | Release date: | 2012-03-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
Biochemistry, 51, 2012
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3UF3
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 | | Descriptor: | GLYCEROL, HIV-1 protease, YTTRIUM ION | | Authors: | Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T. | | Deposit date: | 2011-10-31 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
Biochemistry, 51, 2012
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5U03
 | | Cryo-EM structure of the human CTP synthase filament | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase 1, URIDINE 5'-TRIPHOSPHATE | | Authors: | Lynch, E.M, Kollman, J.M. | | Deposit date: | 2016-11-22 | | Release date: | 2017-04-26 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Human CTP synthase filament structure reveals the active enzyme conformation.
Nat. Struct. Mol. Biol., 24, 2017
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5U3C
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5U6R
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1VBE
 | | POLIOVIRUS (TYPE 3, SABIN STRAIN, MUTANT 242-H2) COMPLEXED WITH R78206 | | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3 | | Authors: | Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M. | | Deposit date: | 1996-01-02 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
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5U05
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1VBA
 | | POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R78206 | | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3 | | Authors: | Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M. | | Deposit date: | 1996-01-02 | | Release date: | 1996-07-11 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
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1VBC
 | | POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R77975 | | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3 | | Authors: | Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M. | | Deposit date: | 1996-01-02 | | Release date: | 1996-07-11 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
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1VBB
 | | POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R80633 | | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3 | | Authors: | Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M. | | Deposit date: | 1996-01-02 | | Release date: | 1996-07-11 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
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1SM3
 | | CRYSTAL STRUCTURE OF THE TUMOR SPECIFIC ANTIBODY SM3 COMPLEX WITH ITS PEPTIDE EPITOPE | | Descriptor: | CADMIUM ION, CHLORIDE ION, PEPTIDE EPITOPE, ... | | Authors: | Dokurno, P, Bates, P.A, Band, H.A, Stewart, L.M.D, Lally, J.M, Burchell, J.M, Taylor-Papadimitriou, J, Sternberg, M.J.E, Snary, D, Freemont, P.S. | | Deposit date: | 1997-12-23 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure at 1.95 A resolution of the breast tumour-specific antibody SM3 complexed with its peptide epitope reveals novel hypervariable loop recognition.
J.Mol.Biol., 284, 1998
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8RFM
 | | Human NOQ1 enzyme in complex with NADH by serial crystallography | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
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8RFN
 | | Human NOQ1 enzyme in its holo form by serial crystallography | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
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1MII
 | | SOLUTION STRUCTURE OF ALPHA-CONOTOXIN MII | | Descriptor: | PROTEIN (ALPHA CONOTOXIN MII) | | Authors: | Hill, J.M, Oomen, C.J, Miranda, L.P, Bingham, J.P, Alewood, P.F, Craik, D.J. | | Deposit date: | 1998-10-05 | | Release date: | 1998-10-21 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of alpha-conotoxin MII by NMR spectroscopy: effects of solution environment on helicity.
Biochemistry, 37, 1998
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1CTP
 | | STRUCTURE OF THE MAMMALIAN CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND AN INHIBITOR PEPTIDE DISPLAYS AN OPEN CONFORMATION | | Descriptor: | MYRISTIC ACID, cAMP-DEPENDENT PROTEIN KINASE, cAMP-dependent protein kinase inhibitor, ... | | Authors: | Karlsson, R, Zheng, J, Xuong, N.H, Taylor, S.S, Sowadski, J.M. | | Deposit date: | 1993-04-08 | | Release date: | 1994-01-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the mammalian catalytic subunit of cAMP-dependent protein kinase and an inhibitor peptide displays an open conformation.
Acta Crystallogr.,Sect.D, 49, 1993
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1CMK
 | | CRYSTAL STRUCTURES OF THE MYRISTYLATED CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE REVEAL OPEN AND CLOSED CONFORMATIONS | | Descriptor: | IODIDE ION, MYRISTIC ACID, cAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT, ... | | Authors: | Zheng, J, Knighton, D.R, Xuong, N.-H, Taylor, S.S, Sowadski, J.M, Ten Eyck, L.F. | | Deposit date: | 1993-11-18 | | Release date: | 1994-05-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of the myristylated catalytic subunit of cAMP-dependent protein kinase reveal open and closed conformations.
Protein Sci., 2, 1993
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1ML0
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1MKF
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1U5M
 | | Structure of a Chordin-like Cysteine-rich Repeat (VWC module) from Collagen IIA | | Descriptor: | alpha 1 type II collagen isoform 1 | | Authors: | O'Leary, J.M, Hamilton, J.m, Deane, C.M, Valeyev, N.V, Sandell, L.J, Downing, A.K. | | Deposit date: | 2004-07-28 | | Release date: | 2004-10-05 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of a prototypical chordin-like cysteine-rich repeat (von Willebrand Factor type C module) from collagen IIA
J.Biol.Chem., 279, 2004
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3VE0
 | | Crystal structure of Sudan Ebolavirus Glycoprotein (strain Boniface) bound to 16F6 | | Descriptor: | 16F6 Antibody chain A, 16F6 Antibody chain B, Envelope glycoprotein, ... | | Authors: | Saphire, E.O, Bale, S, Dias, J.M. | | Deposit date: | 2012-01-06 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.353 Å) | | Cite: | Structural basis for differential neutralization of ebolaviruses.
Viruses, 4, 2012
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8FJT
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF362 inhibitor | | Descriptor: | GLYCINE, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2022-12-20 | | Release date: | 2023-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
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8FJU
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor | | Descriptor: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Serine hydroxymethyltransferase, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2022-12-20 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
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