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8BO3
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian
分子名称: 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, Coagulation factor XIa light chain
著者Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
登録日2022-11-14
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
1QUS
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1.7 A RESOLUTION STRUCTURE OF THE SOLUBLE LYTIC TRANSGLYCOSYLASE SLT35 FROM ESCHERICHIA COLI
分子名称: 1,2-ETHANEDIOL, BICINE, LYTIC MUREIN TRANSGLYCOSYLASE B, ...
著者van Asselt, E.J, Dijkstra, A.J, Kalk, K.H, Takacs, B, Keck, W, Dijkstra, B.W.
登録日1999-07-03
公開日1999-09-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Escherichia coli lytic transglycosylase Slt35 reveals a lysozyme-like catalytic domain with an EF-hand.
Structure Fold.Des., 7, 1999
1CKS
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BU of 1cks by Molmil
HUMAN CKSHS2 ATOMIC STRUCTURE: A ROLE FOR ITS HEXAMERIC ASSEMBLY IN CELL CYCLE CONTROL
分子名称: CYCLIN-DEPENDENT KINASE SUBUNIT, TYPE 2, SULFATE ION
著者Parge, H.E, Arvai, A.S, Tainer, J.A.
登録日1993-09-16
公開日1995-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human CksHs2 atomic structure: a role for its hexameric assembly in cell cycle control.
Science, 262, 1993
1HWR
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MOLECULAR RECOGNITION OF CYCLIC UREA HIV PROTEASE INHIBITORS
分子名称: HIV-1 PROTEASE, [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
著者Chang, C.-H.
登録日1998-03-20
公開日1999-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular recognition of cyclic urea HIV-1 protease inhibitors.
J.Biol.Chem., 273, 1998
4O8N
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Crystal structure of SthAraf62A, a GH62 family alpha-L-arabinofuranosidase from Streptomyces thermoviolaceus, in the apoprotein form
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase, CALCIUM ION, ...
著者Stogios, P.J, Wang, W, Xu, X, Cui, H, Master, E, Savchenko, A.
登録日2013-12-28
公開日2014-07-02
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (1.6476 Å)
主引用文献Elucidation of the molecular basis for arabinoxylan-debranching activity of a thermostable family GH62 alpha-l-arabinofuranosidase from Streptomyces thermoviolaceus.
Appl.Environ.Microbiol., 80, 2014
4JZJ
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BU of 4jzj by Molmil
Crystal Structure of Receptor-Fab Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy Chain, Fab Light Chain, ...
著者Broughton, S.E, Parker, M.W.
登録日2013-04-03
公開日2014-04-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Dual mechanism of interleukin-3 receptor blockade by an anti-cancer antibody
Cell Rep, 8, 2014
5CYA
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Crystal structure of Arl2 GTPase-activating protein tubulin cofactor C (TBCC)
分子名称: SULFATE ION, Tubulin-specific chaperone C
著者Nithianantham, S, Le, S, Seto, E, Jia, W, Leary, J, Corbett, K.D, Moore, J.K, Al-Bassam, J.
登録日2015-07-30
公開日2015-08-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tubulin cofactors and Arl2 are cage-like chaperones that regulate the soluble alpha beta-tubulin pool for microtubule dynamics.
Elife, 4, 2015
7UCC
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BU of 7ucc by Molmil
Transcription factor FosB/JunD bZIP domain in the reduced form
分子名称: CHLORIDE ION, ETHANOL, Protein fosB, ...
著者Kumar, A, Machius, M.C, Rudenko, G.
登録日2022-03-16
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022
5CYS
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BU of 5cys by Molmil
Structure of the enzyme-product complex resulting from TDG action on a GcaC mismatch
分子名称: ACETIC ACID, DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase
著者Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2015-07-30
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Characterizing the enzyme-product complexes of thymine DNA glycosylase using crystallography and NMR
Nucleic Acids Res., 2015
7UCD
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Transcription factor FosB/JunD bZIP domain covalently modified with the cysteine-targeting alpha-haloketone compound Z2159931480
分子名称: 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one, CHLORIDE ION, Protein fosB, ...
著者Kumar, A, Machius, M.C, Rudenko, G.
登録日2022-03-16
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022
1HKB
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CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE
分子名称: 6-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, D-GLUCOSE 6-PHOSPHOTRANSFERASE, ...
著者Aleshin, A.E, Zeng, C, Burenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B.
登録日1997-12-01
公開日1998-06-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The mechanism of regulation of hexokinase: new insights from the crystal structure of recombinant human brain hexokinase complexed with glucose and glucose-6-phosphate.
Structure, 6, 1998
1QZ1
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BU of 1qz1 by Molmil
Crystal Structure of the Ig 1-2-3 fragment of NCAM
分子名称: Neural cell adhesion molecule 1, 140 kDa isoform
著者Soroka, V, Kolkova, K, Kastrup, J.S, Diederichs, K, Breed, J, Kiselyov, V.V, Poulsen, F.M, Larsen, I.K, Welte, W, Berezin, V, Bock, E, Kasper, C.
登録日2003-09-15
公開日2003-11-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and interactions of NCAM Ig1-2-3 suggest a novel zipper mechanism for homophilic adhesion
Structure, 11, 2003
5X31
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Pseudoazurin from Alcaligenes faecalis (space group P65)
分子名称: COPPER (II) ION, Pseudoazurin
著者Fukuda, Y, Mizohata, E, Inoue, T.
登録日2017-02-03
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献New molecular packing in a crystal of pseudoazurin from Alcaligenes faecalis: a double-helical arrangement of blue copper
Acta Crystallogr F Struct Biol Commun, 73, 2017
5D43
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crystal structrue of Mouse centrin 1 in calcium-saturated form
分子名称: CALCIUM ION, Centrin-1
著者Park, J.H, Kim, S.Y, Kim, D.S.
登録日2015-08-07
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Crystal Structure of Wild-Type Centrin 1 from Mus musculus Occupied by Ca2.
Biochemistry Mosc., 82, 2017
3LEE
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BU of 3lee by Molmil
Crystal structure of the human squalene synthase complexed with BPH-652
分子名称: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, MAGNESIUM ION, Squalene synthetase
著者Liu, Y.-L, Lin, F.-Y, Oldfield, E.
登録日2010-01-14
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mechanism of Action (and Inhibition) of Head-to-Head Terpene Synthases: A Structural Investigation
To be Published
1R0Q
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BU of 1r0q by Molmil
Characterization of the conversion of the malformed, recombinant cytochrome rc552 to a 2-formyl-4-vinyl (Spirographis) heme
分子名称: 2-FORMYL-PROTOPORPHRYN IX, Cytochrome c-552
著者Fee, J.A, Todaro, T.R, Luna, E, Sanders, D, Hunsicker-Wang, L.M, Patel, K.M, Bren, K.L, Gomez-Moran, E, Hill, M.G, Ai, J, Loehr, T.M, Oertling, W.A, Williams, P.A, Stout, C.D, McRee, D, Pastuszyn, A.
登録日2003-09-22
公開日2004-09-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Cytochrome rC552, formed during expression of the truncated, Thermus thermophilus cytochrome c552 gene in the cytoplasm of Escherichia coli, reacts spontaneously to form protein-bound 2-formyl-4-vinyl (Spirographis) heme.
Biochemistry, 43, 2004
5XF8
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BU of 5xf8 by Molmil
Cryo-EM structure of the Cdt1-MCM2-7 complex in AMPPNP state
分子名称: Cell division cycle protein CDT1, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ...
著者Zhai, Y, Cheng, E, Wu, H, Li, N, Yung, P.Y, Gao, N, Tye, B.K.
登録日2017-04-09
公開日2017-05-03
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Open-ringed structure of the Cdt1-Mcm2-7 complex as a precursor of the MCM double hexamer
Nat. Struct. Mol. Biol., 24, 2017
4ONK
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[Leu-5]-Enkephalin mutant - YVVFL
分子名称: [Leu-5]-Enkephalin mutant - YVVFL
著者Sangwan, S, Eisenberg, D, Sawaya, M.R, Do, T.D, Bowers, M.T, Lapointe, N.E, Teplow, D.B, Feinstein, S.C.
登録日2014-01-28
公開日2014-07-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Factors that drive Peptide assembly from native to amyloid structures: experimental and theoretical analysis of [leu-5]-enkephalin mutants.
J.Phys.Chem.B, 118, 2014
1HOS
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BU of 1hos by Molmil
INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS-1 PROTEASE BY A C2-SYMMETRIC PHOSPHINATE SYNTHESIS AND CRYSTALLOGRAPHIC ANALYSIS
分子名称: (2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID, HIV-1 PROTEASE
著者Abdel-Meguid, S, Zhao, B.
登録日1993-04-06
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of human immunodeficiency virus-1 protease by a C2-symmetric phosphinate. Synthesis and crystallographic analysis.
Biochemistry, 32, 1993
4KGA
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BU of 4kga by Molmil
Crystal structure of kallikrein-related peptidase 4
分子名称: 1,2-ETHANEDIOL, Kallikrein-4, NICKEL (II) ION
著者Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
登録日2013-04-29
公開日2014-04-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
4OXB
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BU of 4oxb by Molmil
Structure of ECP with sulphate anions at 1.50 Angstroms
分子名称: Eosinophil cationic protein, SULFATE ION
著者Blanco, J.A, Boix, E, Moussaoui, M.
登録日2014-02-05
公開日2015-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of ECP at 1.50 with sulphate anions at 1.50 Angstroms
To be published
1HWJ
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COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH CERIVASTATIN
分子名称: 7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-DIHYDROXY-HEPTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, HMG-COA REDUCTASE
著者Istvan, E.S, Deisenhofer, J.
登録日2001-01-09
公開日2001-05-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural mechanism for statin inhibition of HMG-CoA reductase.
Science, 292, 2001
5X9S
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Crystal structure of fully modified H-Ras-GppNHp
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Matsumoto, S, Ke, H, Murashima, Y, Taniguchi-Tamura, H, Miyamoto, R, Yoshikawa, Y, Kumasaka, T, Mizohata, E, Edamatsu, H, Kataoka, T.
登録日2017-03-09
公開日2017-08-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for intramolecular interaction of post-translationally modified H-RasGTP prepared by protein ligation
FEBS Lett., 591, 2017
3DNB
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HELIX GEOMETRY, HYDRATION, AND G.A MISMATCH IN A B-DNA DECAMER
分子名称: DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*TP*GP*G)-3'), MAGNESIUM ION
著者Prive, G.G, Dickerson, R.E.
登録日1988-03-18
公開日1989-01-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of the B-DNA decamer C-C-A-A-C-G-T-T-G-G and comparison with isomorphous decamers C-C-A-A-G-A-T-T-G-G and C-C-A-G-G-C-C-T-G-G.
J.Mol.Biol., 217, 1991
5DJ9
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Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with gabaculine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, ...
著者Filippova, E.V, Minasov, G, Flores, K, Le, H.V, Silverman, R.B, McLeod, R.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-09-01
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with gabaculine
To Be Published

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