7QGC
 
 | | H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 5.5 | | 分子名称: | 5,6-DIBROMOBENZOTRIAZOLE, CITRATE ANION, Casein kinase II subunit alpha, ... | | 著者 | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | | 登録日 | 2021-12-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
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7QGE
 | | H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6,7,8-TETRABROMOBENZOTRIAZOLE (TBBt) AT PH 8.5 | | 分子名称: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ... | | 著者 | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | | 登録日 | 2021-12-08 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
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7QGD
 | | H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 8.5 | | 分子名称: | 5,6-DIBROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ... | | 著者 | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | | 登録日 | 2021-12-08 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
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7QGB
 | | H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 6.5 | | 分子名称: | 5,6-DIBROMOBENZOTRIAZOLE, Casein kinase II subunit alpha | | 著者 | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | | 登録日 | 2021-12-08 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
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4BGC
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6Y0D
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1SOG
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1U5P
 | | Crystal Structure of Repeats 15 and 16 of Chicken Brain Alpha Spectrin | | 分子名称: | PHOSPHATE ION, POTASSIUM ION, Spectrin alpha chain, ... | | 著者 | Kusunoki, H, Minasov, G, MacDonald, R.I, Mondragon, A. | | 登録日 | 2004-07-28 | | 公開日 | 2004-10-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Independent Movement, Dimerization and Stability of Tandem Repeats of Chicken Brain alpha-Spectrin
J.Mol.Biol., 344, 2004
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1U4Q
 | | Crystal Structure of Repeats 15, 16 and 17 of Chicken Brain Alpha Spectrin | | 分子名称: | Spectrin alpha chain, brain | | 著者 | Kusunoki, H, Minasov, G, MacDonald, R.I, Mondragon, A. | | 登録日 | 2004-07-26 | | 公開日 | 2004-10-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Independent Movement, Dimerization and Stability of Tandem Repeats of Chicken Brain alpha-Spectrin
J.Mol.Biol., 344, 2004
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1W7Z
 | | Crystal structure of the free (uncomplexed) Ecballium elaterium trypsin inhibitor (EETI-II) | | 分子名称: | FORMIC ACID, SODIUM ION, TRYPSIN INHIBITOR II | | 著者 | Kraetzner, R, Debreczeni, J.E, Pape, T, Kolmar, H, Schneider, T.R, Uson, I, Scheldrick, G.M. | | 登録日 | 2004-09-14 | | 公開日 | 2005-11-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold
Acta Crystallogr.,Sect.D, 61, 2005
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1BZZ
 | | HEMOGLOBIN (ALPHA V1M) MUTANT | | 分子名称: | PROTEIN (HEMOGLOBIN ALPHA CHAIN), PROTEIN (HEMOGLOBIN BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Kavanaugh, J.S, Arnone, A. | | 登録日 | 1998-11-04 | | 公開日 | 1998-11-11 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structural and functional properties of human hemoglobins reassembled after synthesis in Escherichia coli.
Biochemistry, 38, 1999
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1STQ
 | | Cyrstal Structure of Cytochrome c Peroxidase Mutant: CcPK2M3 | | 分子名称: | Cytochrome c peroxidase, mitochondrial, POTASSIUM ION, ... | | 著者 | Barrows, T.P, Bhaskar, B, Poulos, T.L. | | 登録日 | 2004-03-25 | | 公開日 | 2004-07-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Electrostatic control of the tryptophan radical in cytochrome c peroxidase.
Biochemistry, 43, 2004
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1BZ1
 | | HEMOGLOBIN (ALPHA + MET) VARIANT | | 分子名称: | PROTEIN (HEMOGLOBIN ALPHA CHAIN), PROTEIN (HEMOGLOBIN BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Kavanaugh, J.S, Arnone, A. | | 登録日 | 1998-11-05 | | 公開日 | 1998-11-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structural and functional properties of human hemoglobins reassembled after synthesis in Escherichia coli.
Biochemistry, 38, 1999
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1C7T
 | | BETA-N-ACETYLHEXOSAMINIDASE MUTANT E540D COMPLEXED WITH DI-N ACETYL-D-GLUCOSAMINE (CHITOBIASE) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE, SULFATE ION | | 著者 | Prag, G, Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K, Oppenheim, A.B. | | 登録日 | 2000-03-17 | | 公開日 | 2000-09-20 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structures of chitobiase mutants complexed with the substrate Di-N-acetyl-d-glucosamine: the catalytic role of the conserved acidic pair, aspartate 539 and glutamate 540.
J.Mol.Biol., 300, 2000
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1J75
 | | Crystal Structure of the DNA-Binding Domain Zalpha of DLM-1 Bound to Z-DNA | | 分子名称: | 5'-D(*TP*CP*GP*CP*GP*CP*G)-3', Tumor Stroma and Activated Macrophage Protein DLM-1 | | 著者 | Schwartz, T, Behlke, J, Lowenhaupt, K, Heinemann, U, Rich, A. | | 登録日 | 2001-05-15 | | 公開日 | 2001-09-01 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure of the DLM-1-Z-DNA complex reveals a conserved family of Z-DNA-binding proteins.
Nat.Struct.Biol., 8, 2001
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5Z84
 | | The structure of azide-bound cytochrome c oxidase determined using the crystals exposed to 20 mM azide solution for 4 days | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | | 登録日 | 2018-01-31 | | 公開日 | 2018-08-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
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6S03
 | | Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379 | | 分子名称: | 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2019-06-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
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1H9H
 | | COMPLEX OF EETI-II WITH PORCINE TRYPSIN | | 分子名称: | CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR II | | 著者 | Kraetzner, R, Wentzel, A, Kolmar, H, Uson, I. | | 登録日 | 2001-03-12 | | 公開日 | 2004-07-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold
Acta Crystallogr.,Sect.D, 61, 2005
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1H9I
 | | COMPLEX OF EETI-II MUTANT WITH PORCINE TRYPSIN | | 分子名称: | CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR II | | 著者 | Kraetzner, R, Wentzel, A, Kolmar, H, Uson, I. | | 登録日 | 2001-03-12 | | 公開日 | 2004-07-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold
Acta Crystallogr.,Sect.D, 61, 2005
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6RZX
 | | Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | | 分子名称: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2019-06-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
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7MX4
 | | CD1c with antigen analogue 1 | | 分子名称: | (2S)-2,3-dihydroxypropyl hexadecanoate, (4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | 著者 | Cao, T.P, Shahine, A, Rossjohn, J. | | 登録日 | 2021-05-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells.
J.Biol.Chem., 297, 2021
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7MXH
 | | CD1c with antigen analogue 3 | | 分子名称: | (2S)-2,3-dihydroxypropyl hexadecanoate, 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Cao, T.P, Shahine, A, Rossjohn, J. | | 登録日 | 2021-05-19 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells.
J.Biol.Chem., 297, 2021
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7MXF
 | | CD1c with antigen analogue 2 | | 分子名称: | (2S)-2,3-dihydroxypropyl hexadecanoate, 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | 著者 | Cao, T.P, Shahine, A, Rossjohn, J. | | 登録日 | 2021-05-19 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells.
J.Biol.Chem., 297, 2021
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1P3N
 | | CORE REDESIGN BACK-REVERTANT I103V/CORE10 | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | | 著者 | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | | 登録日 | 2003-04-17 | | 公開日 | 2003-10-07 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
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1XEP
 | | Catechol in complex with T4 lysozyme L99A/M102Q | | 分子名称: | BETA-MERCAPTOETHANOL, CATECHOL, Lysozyme, ... | | 著者 | Graves, A.P, Brenk, R, Shoichet, B.K. | | 登録日 | 2004-09-10 | | 公開日 | 2005-05-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Decoys for docking.
J.Med.Chem., 48, 2005
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