7AP5
 
 | | Crystal structure of phycoerythrin from cyanobacterium Nostoc sp. WR13 contains multiple stacks of hexameric assemblies which resemble the rods of phycobilisome. | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | | Authors: | Patel, H.M, Roszak, A.W, Cogdell, R.J, Madamwar, D, Liu, H, Gross, M.L, Blankenship, R.E. | | Deposit date: | 2020-10-15 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.131 Å) | | Cite: | The crystal stacks of hexameric assemblies of phycoerythrin from cyanobacterium Nostoc sp. WR13 resemble rods of phycobilisome
To Be Published
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8MHT
 | | CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI/DNA COMPLEX | | Descriptor: | 5'-D(P*CP*CP*AP*TP*GP*UP*GP*CP*TP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3', CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI, ... | | Authors: | O'Gara, M, Horton, J.R, Roberts, R.J, Cheng, X. | | Deposit date: | 1998-08-06 | | Release date: | 1998-11-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structures of HhaI methyltransferase complexed with substrates containing mismatches at the target base.
Nat.Struct.Biol., 5, 1998
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8OEF
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8CIF
 | | Bovine naive ultralong antibody AbD08 collected at 293K | | Descriptor: | Heavy chain, Light chain | | Authors: | Clarke, J.D, Mikolajek, H, Stuart, D.I, Owens, R.J. | | Deposit date: | 2023-02-09 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
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3CCC
 | | Crystal Structure of Human DPP4 in complex with a benzimidazole derivative | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile, ... | | Authors: | Wallace, M.B, Skene, R.J. | | Deposit date: | 2008-02-25 | | Release date: | 2008-10-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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7OC5
 | | Alpha-humulene synthase AsR6 from Sarocladium schorii | | Descriptor: | Alpha-humulene synthase AsR6, MAGNESIUM ION, ZINC ION | | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | | Deposit date: | 2021-04-26 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1ZUC
 | | Progesterone receptor ligand binding domain in complex with the nonsteroidal agonist tanaproget | | Descriptor: | 5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE, Progesterone receptor, SULFATE ION | | Authors: | Zhang, Z, Olland, A.M, Zhu, Y, Cohen, J, Berrodin, T, Chippari, S, Appavu, C, Li, S, Wilhem, J, Chopra, R, Fensome, A, Zhang, P, Wrobel, J, Unwalla, R.J, Lyttle, C.R, Winneker, R.C. | | Deposit date: | 2005-05-30 | | Release date: | 2005-07-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular and pharmacological properties of a potent and selective novel nonsteroidal progesterone receptor agonist tanaproget
J.Biol.Chem., 280, 2005
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7OC6
 | | Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii | | Descriptor: | Alpha-humulene synthase asR6, GLYCEROL, SULFATE ION, ... | | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | | Deposit date: | 2021-04-26 | | Release date: | 2021-07-07 | | Last modified: | 2021-09-15 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7OC4
 | | Alpha-humulene synthase AsR6 from Sarocladium schorii in complex with thiolodiphosphate and a cyclized reaction product. | | Descriptor: | (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene, (R,R)-2,3-BUTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | | Deposit date: | 2021-04-26 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8CI5
 | | Structure of the SNV L protein bound to 5' RNA | | Descriptor: | RNA (5'-R(P*AP*GP*UP*AP*GP*UP*AP*GP*AP*CP*U)-3'), RNA-directed RNA polymerase L | | Authors: | Meier, K, Thorkelsson, S.R, Durieux Trouilleton, Q, Vogel, D, Yu, D, Kosinski, J, Cusack, S, Malet, H, Grunewald, K, Quemin, E.R.J, Rosenthal, M. | | Deposit date: | 2023-02-08 | | Release date: | 2023-07-19 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and functional characterization of the Sin Nombre virus L protein.
Plos Pathog., 19, 2023
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231D
 | | STRUCTURE OF A DNA-PORPHYRIN COMPLEX | | Descriptor: | CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), SODIUM ION | | Authors: | Lipscomb, L.A, Zhou, F.X, Presnell, S.R, Woo, R.J, Peek, M.E, Plaskon, R.R, Williams, L.D. | | Deposit date: | 1995-08-25 | | Release date: | 1996-03-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of DNA-porphyrin complex.
Biochemistry, 35, 1996
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8CKP
 | | X-ray structure of the crystallization-prone form of subfamily III haloalkane dehalogenase DhmeA from Haloferax mediterranei | | Descriptor: | Alpha/beta fold hydrolase, CHLORIDE ION | | Authors: | Marek, M, Chmelova, K, Schenkmayerova, A, Croll, T, Read, R.J, Diederichs, K. | | Deposit date: | 2023-02-16 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Multimeric structure of a subfamily III haloalkane dehalogenase-like enzyme solved by combination of cryo-EM and x-ray crystallography.
Protein Sci., 32, 2023
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6P5P
 | | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | | Descriptor: | 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | | Authors: | Hoffman, I.D, Skene, R.J. | | Deposit date: | 2019-05-30 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent.
J.Med.Chem., 63, 2020
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3C4B
 | | Structure of RNaseIIIb and dsRNA binding domains of mouse Dicer | | Descriptor: | Endoribonuclease Dicer | | Authors: | Lee, J.K, Du, Z, Tjhen, R.J, Stroud, R.M, James, T.L. | | Deposit date: | 2008-01-29 | | Release date: | 2008-02-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural and biochemical insights into the dicing mechanism of mouse Dicer: A conserved lysine is critical for dsRNA cleavage.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C6R
 | | Low pH Immature Dengue Virus | | Descriptor: | Envelope protein, Peptide pr | | Authors: | Yu, I, Zhang, W, Holdway, H.A, Li, L, Kostyuchenko, V.A, Chipman, P.R, Kuhn, R.J, Rossmann, M.G, Chen, J. | | Deposit date: | 2008-02-05 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (25 Å) | | Cite: | Structure of the immature dengue virus at low pH primes proteolytic maturation
Science, 319, 2008
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6P5M
 | | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | | Descriptor: | 6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | | Authors: | Hoffman, I.D, Skene, R.J. | | Deposit date: | 2019-05-30 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent.
J.Med.Chem., 63, 2020
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6PQ7
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7SI5
 | | CRYSTAL STRUCTURE OF EED WITH MRTX-1919 | | Descriptor: | (4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, 1,2-ETHANEDIOL, FORMIC ACID, ... | | Authors: | Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A. | | Deposit date: | 2021-10-12 | | Release date: | 2022-11-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | CRYSTAL STRUCTURE OF EED WITH MRTX-1919
TO BE PUBLISHED
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7SI4
 | | CRYSTAL STRUCTURE OF EED WITH MRTX-2219 | | Descriptor: | (4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, FORMIC ACID, Polycomb protein EED | | Authors: | Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A. | | Deposit date: | 2021-10-12 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | CRYSTAL STRUCTURE OF EED WITH MRTX-2219
TO BE PUBLISHED
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1ZYQ
 | | T7 DNA polymerase in complex with 8oG and incoming ddATP | | Descriptor: | 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*CP*(8OG)P*CP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*TP*CP*G)-3', 5'-D(*CP*GP*AP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*(DDG))-3', ... | | Authors: | Brieba, L.G, Kokoska, R.J, Bebenek, K, Kunkel, T.A, Ellenberger, T. | | Deposit date: | 2005-06-10 | | Release date: | 2005-11-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A lysine residue in the fingers subdomain of t7 DNA polymerase modulates the miscoding potential of 8-oxo-7,8-dihydroguanosine.
Structure, 13, 2005
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7SKC
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8G45
 | | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with SGC-UBD253 chemical probe | | Descriptor: | 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid, Histone deacetylase 6, ZINC ION | | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
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8G43
 | | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | | Descriptor: | 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
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8G44
 | | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | | Descriptor: | 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
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2C4C
 | | Crystal structure of the NADPH-treated monooxygenase domain of MICAL | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NEDD9-INTERACTING PROTEIN WITH CALPONIN HOMOLOGY AND LIM DOMAINS | | Authors: | Siebold, C, Berrow, N, Walter, T.S, Harlos, K, Owens, R.J, Terman, J.R, Stuart, D.I, Kolodkin, A.L, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2005-10-18 | | Release date: | 2005-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | High-Resolution Structure of the Catalytic Region of Mical (Molecule Interacting with Casl), a Multidomain Flavoenzyme-Signaling Molecule.
Proc.Natl.Acad.Sci.USA, 102, 2005
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