2RKW
 
 | | Intermediate position of ATP on its trail to the binding pocket inside the subunit B mutant R416W of the energy converter A1Ao ATP synthase | | 分子名称: | V-type ATP synthase beta chain | | 著者 | Kumar, A, Manimekalai, M.S.S, Balakrishna, A.M, Hunke, C, Gruber, G. | | 登録日 | 2007-10-18 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Spectroscopic and crystallographic studies of the mutant R416W give insight into the nucleotide binding traits of subunit B of the A1Ao ATP synthase
Proteins, 75, 2009
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4PCO
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4PO5
 | | Crystal structure of allophycocyanin B from Synechocystis PCC 6803 | | 分子名称: | Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, PHYCOCYANOBILIN, ... | | 著者 | Pang, P.P, Dong, L.L, Sun, Y.F, Zeng, X.L, Ding, W.L, Scheer, H, Yang, X, Zhao, K.H. | | 登録日 | 2014-02-24 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | | 主引用文献 | The structure of allophycocyanin B from Synechocystis PCC 6803 reveals the structural basis for the extreme redshift of the terminal emitter in phycobilisomes.
Acta Crystallogr.,Sect.D, 70, 2014
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2BFL
 | | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent. | | 分子名称: | AZIDE ION, GLYCEROL, Metallo-beta-lactamase type 2, ... | | 著者 | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | | 登録日 | 2004-12-08 | | 公開日 | 2005-03-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
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2SGF
 | | PHE 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B | | 分子名称: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | | 著者 | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | 登録日 | 1999-03-25 | | 公開日 | 2003-08-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs
To be Published
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2SGD
 | | ASP 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7 | | 分子名称: | Ovomucoid, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | 登録日 | 1999-03-25 | | 公開日 | 2003-08-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs
To be Published
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2C3I
 | | CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH IMIDAZOPYRIDAZIN I | | 分子名称: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1 | | 著者 | Philippakopoulos, P, Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K, Weigelt, J. | | 登録日 | 2005-10-07 | | 公開日 | 2005-11-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Analysis Identifies Imidazo[1,2- B]Pyridazines as Pim Kinase Inhibitors with in Vitro Antileukemic Activity.
Cancer Res., 67, 2007
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3COH
 | | Crystal structure of Aurora-A in complex with a pentacyclic inhibitor | | 分子名称: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6 | | 著者 | Wiesmann, C, Raswson, T.E, Cochran, A.G. | | 登録日 | 2008-03-28 | | 公開日 | 2009-02-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability.
J.Med.Chem., 51, 2008
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2SKE
 | | PYRIDOXAL PHOSPHORYLASE B IN COMPLEX WITH PHOSPHITE, GLUCOSE AND INOSINE-5'-MONOPHOSPHATE | | 分子名称: | INOSINIC ACID, PHOSPHITE ION, PYRIDOXAL PHOSPHORYLASE B, ... | | 著者 | Oikonomakos, N.G, Zographos, S.E, Tsitsanou, K.E, Johnson, L.N, Acharya, K.R. | | 登録日 | 1998-12-11 | | 公開日 | 1998-12-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Activator anion binding site in pyridoxal phosphorylase b: the binding of phosphite, phosphate, and fluorophosphate in the crystal.
Protein Sci., 5, 1996
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2SGE
 | | GLU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7 | | 分子名称: | Ovomucoid, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | 登録日 | 1999-03-25 | | 公開日 | 2003-08-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
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2SKC
 | | PYRIDOXAL PHOSPHORYLASE B IN COMPLEX WITH FLUOROPHOSPHATE, GLUCOSE AND INOSINE-5'-MONOPHOSPHATE | | 分子名称: | FLUORO-PHOSPHITE ION, INOSINIC ACID, PYRIDOXAL PHOSPHORYLASE B, ... | | 著者 | Oikonomakos, N.G, Zographos, S.E, Tsitsanou, K.E, Johnson, L.N, Acharya, K.R. | | 登録日 | 1998-12-11 | | 公開日 | 1998-12-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Activator anion binding site in pyridoxal phosphorylase b: the binding of phosphite, phosphate, and fluorophosphate in the crystal.
Protein Sci., 5, 1996
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2SKD
 | | PYRIDOXAL PHOSPHORYLASE B IN COMPLEX WITH PHOSPHATE, GLUCOSE AND INOSINE-5'-MONOPHOSPHATE | | 分子名称: | INOSINIC ACID, PHOSPHATE ION, PYRIDOXAL PHOSPHORYLASE B, ... | | 著者 | Oikonomakos, N.G, Zographos, S.E, Tsitsanou, K.E, Johnson, L.N, Acharya, K.R. | | 登録日 | 1998-12-11 | | 公開日 | 1998-12-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Activator anion binding site in pyridoxal phosphorylase b: the binding of phosphite, phosphate, and fluorophosphate in the crystal.
Protein Sci., 5, 1996
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2RFX
 | | Crystal Structure of HLA-B*5701, presenting the self peptide, LSSPVTKSF | | 分子名称: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | 著者 | Archbold, J.K, Macdonald, W.A, Rossjohn, J, McCluskey, J. | | 登録日 | 2007-10-02 | | 公開日 | 2008-07-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Human leukocyte antigen class I-restricted activation of CD8+ T cells provides the immunogenetic basis of a systemic drug hypersensitivity
Immunity, 28, 2008
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6P3D
 | | The co-crystal structure of BRAF(V600E) with ponatinib | | 分子名称: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, AMMONIUM ION, ... | | 著者 | Agianian, B, Gavathiotis, E. | | 登録日 | 2019-05-23 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Inhibitors of BRAF dimers using an allosteric site.
Nat Commun, 11, 2020
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7AIU
 | | Crystal structure of Torpedo Californica acetylcholinesterase in complex with 8-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)octanamide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)octanamide, Acetylcholinesterase, ... | | 著者 | Coquelle, N, Colletier, J.P. | | 登録日 | 2020-09-28 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | | 主引用文献 | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice.
J.Med.Chem., 64, 2021
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7AIW
 | | Crystal structure of Torpedo Californica acetylcholinesterase in complex with (E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | 著者 | Coquelle, N, Colletier, J.P. | | 登録日 | 2020-09-28 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice.
J.Med.Chem., 64, 2021
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4OR4
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2SGP
 | | PRO 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | | 分子名称: | OVOMUCOID INHIBITOR, PHOSPHATE ION, PROTEINASE B | | 著者 | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | 登録日 | 1999-03-25 | | 公開日 | 2001-01-31 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
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1NG5
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5A3S
 | | Crystal structure of the (SR) Calcium ATPase E2-vanadate complex bound to thapsigargin and TNP-ATP | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | | 著者 | Clausen, J.D, Bublitz, M, Arnou, B, Olesen, C, Andersen, J.P, Moller, J.V, Nissen, P. | | 登録日 | 2015-06-03 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Crystal Structure of the Vanadate-Inhibited Ca(2+)-ATPase.
Structure, 24, 2016
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7AIS
 | | Crystal structure of Torpedo Californica acetylcholinesterase in complex with 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide, Acetylcholinesterase, ... | | 著者 | Coquelle, N, Colletier, J.P. | | 登録日 | 2020-09-28 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice.
J.Med.Chem., 64, 2021
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7AJL
 | | Cyrstal structure of CYRI-B/Fam49B | | 分子名称: | CYFIP-related Rac1 interactor B | | 著者 | Yelland, T, Anh, H, Insall, R, Machesky, L, Ismail, S. | | 登録日 | 2020-09-29 | | 公開日 | 2020-11-18 | | 最終更新日 | 2021-06-02 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structural Basis of CYRI-B Direct Competition with Scar/WAVE Complex for Rac1.
Structure, 29, 2021
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2BED
 | | Structure of FPT bound to inhibitor SCH207736 | | 分子名称: | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE, FARNESYL DIPHOSPHATE, Protein farnesyltransferase beta subunit, ... | | 著者 | Strickland, C. | | 登録日 | 2005-10-24 | | 公開日 | 2006-08-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Enhanced FTase activity achieved via piperazine interaction with catalytic zinc.
Bioorg.Med.Chem.Lett., 16, 2006
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3V8U
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7AVI
 | | Crystal structure of SOS1 in complex with compound 2 | | 分子名称: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide, Son of sevenless homolog 1 | | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | | 登録日 | 2020-11-05 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
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