2F1C
 
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2F7X
 | | Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine | | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ... | | Authors: | Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | | Deposit date: | 2005-12-01 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 16, 2006
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7E7E
 | | The co-crystal structure of ACE2 with Fab | | Descriptor: | Processed angiotensin-converting enzyme 2, ZINC ION, h11B11-Fab | | Authors: | Xiao, J.Y, Zhang, Y. | | Deposit date: | 2021-02-26 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A broadly neutralizing humanized ACE2-targeting antibody against SARS-CoV-2 variants.
Nat Commun, 12, 2021
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2FAF
 | | The structure of chicken mitochondrial PEPCK. | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MANGANESE (II) ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Holyoak, T, Sullivan, S.M, Nowak, T. | | Deposit date: | 2005-12-07 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Insights into the Mechanism of PEPCK Catalysis
Biochemistry, 45, 2006
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2FAH
 | | The structure of mitochondrial PEPCK, Complex with Mn and GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MALONIC ACID, MANGANESE (II) ION, ... | | Authors: | Holyoak, T, Sullivan, S.M, Nowak, T. | | Deposit date: | 2005-12-07 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural Insights into the Mechanism of PEPCK Catalysis
Biochemistry, 45, 2006
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2FBX
 | | WRN exonuclease, Mg complex | | Descriptor: | MAGNESIUM ION, Werner syndrome helicase | | Authors: | Perry, J.J. | | Deposit date: | 2005-12-10 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | WRN exonuclease structure and molecular mechanism imply an editing role in DNA end processing.
Nat.Struct.Mol.Biol., 13, 2006
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2FEC
 | | Structure of the E203Q mutant of the Cl-/H+ exchanger CLC-ec1 from E.Coli | | Descriptor: | Fab fragment, heavy chain, light chain, ... | | Authors: | Accardi, A, Walden, M.P, Nguitragool, W, Jayaram, H, Williams, C, Miller, C. | | Deposit date: | 2005-12-15 | | Release date: | 2006-01-03 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (3.967 Å) | | Cite: | Separate ion pathways in a Cl-/H+ exchanger
J.Gen.Physiol., 126, 2005
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2FDK
 | | Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T (air 9 days) | | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ... | | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-12-14 | | Release date: | 2006-02-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB.
Nature, 439, 2006
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2FFZ
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2FH8
 | | Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with isomaltose | | Descriptor: | Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose | | Authors: | Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D. | | Deposit date: | 2005-12-23 | | Release date: | 2006-06-13 | | Last modified: | 2022-03-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
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2FLK
 | | Crystal structure of CheY in complex with CheZ(200-214) solved from a F432 crystal grown in CAPS (pH 10.5) | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-terminal 15-mer from Chemotaxis protein cheZ, Chemotaxis protein cheY, ... | | Authors: | Guhaniyogi, J, Robinson, V.L, Stock, A.M. | | Deposit date: | 2006-01-06 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
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7EBG
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 7 | | Descriptor: | 3,3-dimethyl-7-(methylamino)-1H-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EAT
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1 | | Descriptor: | 1,3-dihydro-2H-indol-2-one, SULFATE ION, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-08 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBB
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2 | | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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2EZ8
 | | Pyruvate oxidase variant F479W in complex with reaction intermediate 2-lactyl-thiamin diphosphate | | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | | Deposit date: | 2005-11-10 | | Release date: | 2006-04-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.963 Å) | | Cite: | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
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2EVU
 | | Crystal structure of aquaporin AqpM at 2.3A resolution | | Descriptor: | Aquaporin aqpM, GLYCEROL, octyl beta-D-glucopyranoside | | Authors: | Lee, J.K, Kozono, D, Remis, J, Kitagawa, Y, Agre, P, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2005-10-31 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for conductance by the archaeal aquaporin AqpM at 1.68 A.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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7E62
 | | Mouse TAB2 NZF in complex with Lys6-linked diubiquitin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, TGF-beta-activated kinase 1 and MAP3K7-binding protein 2, Ubiquitin, ... | | Authors: | Sato, Y, Li, Y, Okatsu, K, Fukai, S. | | Deposit date: | 2021-02-21 | | Release date: | 2021-08-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural basis for specific recognition of K6-linked polyubiquitin chains by the TAB2 NZF domain.
Biophys.J., 120, 2021
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2J3U
 | | L-ficolin complexed to galactose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Garlatti, V, Gaboriaud, C. | | Deposit date: | 2006-08-23 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Insights Into the Innate Immune Recognition Specificities of L- and H-Ficolins.
Embo J., 26, 2007
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2IT4
 | | X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet | | Descriptor: | Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION | | Authors: | Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T. | | Deposit date: | 2006-10-19 | | Release date: | 2007-09-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I.
Bioorg.Med.Chem.Lett., 17, 2007
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7EKM
 | | Mitochondrial outer membrane protein | | Descriptor: | ATP-binding cassette sub-family B member 6, mitochondrial | | Authors: | Zhang, S.S. | | Deposit date: | 2021-04-05 | | Release date: | 2021-08-25 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular insights into the human ABCB6 transporter.
Cell Discov, 7, 2021
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2ICV
 | | Kinetic and Crystallographic Studies of a Redesigned Manganese-Binding Site in Cytochrome c Peroxidase | | Descriptor: | COBALT (II) ION, Cytochrome c peroxidase, mitochondrial, ... | | Authors: | Pfister, T, Mirarefi, A.Y, Gengenbach, A.J, Zhao, X, Conaster, C.D.N, Gao, Y.G, Robinson, H, Zukoski, C.F, Wang, A.H.J, Lu, Y. | | Deposit date: | 2006-09-13 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Kinetic and crystallographic studies of a redesigned manganese-binding site in cytochrome c peroxidase
J.Biol.Inorg.Chem., 12, 2007
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2ID9
 | | 1.85 A Structure of T87I/Y106W Phosphono-CheY | | Descriptor: | Chemotaxis protein cheY | | Authors: | Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D. | | Deposit date: | 2006-09-14 | | Release date: | 2007-09-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides.
Arch.Biochem.Biophys., 479, 2008
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7EKL
 | | Mitochondrial outer membrane protein | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family B member 6, MAGNESIUM ION | | Authors: | Zhang, S.S. | | Deposit date: | 2021-04-05 | | Release date: | 2021-08-25 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Molecular insights into the human ABCB6 transporter.
Cell Discov, 7, 2021
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7EDJ
 | | Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2 (ACE2) ectodomain, ... | | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D. | | Deposit date: | 2021-03-16 | | Release date: | 2021-09-01 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
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7EDI
 | | Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), two RBD-up conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D. | | Deposit date: | 2021-03-16 | | Release date: | 2021-09-01 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
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