8BO3
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![BU of 8bo3 by Molmil](/molmil-images/mine/8bo3) | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | 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
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1QUS
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![BU of 1qus by Molmil](/molmil-images/mine/1qus) | 1.7 A RESOLUTION STRUCTURE OF THE SOLUBLE LYTIC TRANSGLYCOSYLASE SLT35 FROM ESCHERICHIA COLI | Descriptor: | 1,2-ETHANEDIOL, BICINE, LYTIC MUREIN TRANSGLYCOSYLASE B, ... | Authors: | van Asselt, E.J, Dijkstra, A.J, Kalk, K.H, Takacs, B, Keck, W, Dijkstra, B.W. | Deposit date: | 1999-07-03 | Release date: | 1999-09-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of Escherichia coli lytic transglycosylase Slt35 reveals a lysozyme-like catalytic domain with an EF-hand. Structure Fold.Des., 7, 1999
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1CKS
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1HWR
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![BU of 1hwr by Molmil](/molmil-images/mine/1hwr) | MOLECULAR RECOGNITION OF CYCLIC UREA HIV PROTEASE INHIBITORS | Descriptor: | 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 | Authors: | Chang, C.-H. | Deposit date: | 1998-03-20 | Release date: | 1999-03-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular recognition of cyclic urea HIV-1 protease inhibitors. J.Biol.Chem., 273, 1998
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4O8N
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![BU of 4o8n by Molmil](/molmil-images/mine/4o8n) | Crystal structure of SthAraf62A, a GH62 family alpha-L-arabinofuranosidase from Streptomyces thermoviolaceus, in the apoprotein form | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase, CALCIUM ION, ... | Authors: | Stogios, P.J, Wang, W, Xu, X, Cui, H, Master, E, Savchenko, A. | Deposit date: | 2013-12-28 | Release date: | 2014-07-02 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.6476 Å) | Cite: | 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
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4JZJ
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![BU of 4jzj by Molmil](/molmil-images/mine/4jzj) | Crystal Structure of Receptor-Fab Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Broughton, S.E, Parker, M.W. | Deposit date: | 2013-04-03 | Release date: | 2014-04-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Dual mechanism of interleukin-3 receptor blockade by an anti-cancer antibody Cell Rep, 8, 2014
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5CYA
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![BU of 5cya by Molmil](/molmil-images/mine/5cya) | Crystal structure of Arl2 GTPase-activating protein tubulin cofactor C (TBCC) | Descriptor: | SULFATE ION, Tubulin-specific chaperone C | Authors: | Nithianantham, S, Le, S, Seto, E, Jia, W, Leary, J, Corbett, K.D, Moore, J.K, Al-Bassam, J. | Deposit date: | 2015-07-30 | Release date: | 2015-08-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tubulin cofactors and Arl2 are cage-like chaperones that regulate the soluble alpha beta-tubulin pool for microtubule dynamics. Elife, 4, 2015
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5CYS
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7UCC
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![BU of 7ucc by Molmil](/molmil-images/mine/7ucc) | Transcription factor FosB/JunD bZIP domain in the reduced form | Descriptor: | CHLORIDE ION, ETHANOL, Protein fosB, ... | Authors: | Kumar, A, Machius, M.C, Rudenko, G. | Deposit date: | 2022-03-16 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Chemically targeting the redox switch in AP1 transcription factor Delta FOSB. Nucleic Acids Res., 50, 2022
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7UCD
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![BU of 7ucd by Molmil](/molmil-images/mine/7ucd) | Transcription factor FosB/JunD bZIP domain covalently modified with the cysteine-targeting alpha-haloketone compound Z2159931480 | Descriptor: | 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one, CHLORIDE ION, Protein fosB, ... | Authors: | Kumar, A, Machius, M.C, Rudenko, G. | Deposit date: | 2022-03-16 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Chemically targeting the redox switch in AP1 transcription factor Delta FOSB. Nucleic Acids Res., 50, 2022
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1HKB
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![BU of 1hkb by Molmil](/molmil-images/mine/1hkb) | CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, D-GLUCOSE 6-PHOSPHOTRANSFERASE, ... | Authors: | Aleshin, A.E, Zeng, C, Burenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | Deposit date: | 1997-12-01 | Release date: | 1998-06-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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
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1QZ1
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![BU of 1qz1 by Molmil](/molmil-images/mine/1qz1) | Crystal Structure of the Ig 1-2-3 fragment of NCAM | Descriptor: | Neural cell adhesion molecule 1, 140 kDa isoform | Authors: | 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. | Deposit date: | 2003-09-15 | Release date: | 2003-11-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and interactions of NCAM Ig1-2-3 suggest a novel zipper mechanism for homophilic adhesion Structure, 11, 2003
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5X31
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5D43
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![BU of 5d43 by Molmil](/molmil-images/mine/5d43) | |
3LEE
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![BU of 3lee by Molmil](/molmil-images/mine/3lee) | |
1R0Q
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![BU of 1r0q by Molmil](/molmil-images/mine/1r0q) | Characterization of the conversion of the malformed, recombinant cytochrome rc552 to a 2-formyl-4-vinyl (Spirographis) heme | Descriptor: | 2-FORMYL-PROTOPORPHRYN IX, Cytochrome c-552 | Authors: | 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. | Deposit date: | 2003-09-22 | Release date: | 2004-09-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | 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
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5XF8
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![BU of 5xf8 by Molmil](/molmil-images/mine/5xf8) | Cryo-EM structure of the Cdt1-MCM2-7 complex in AMPPNP state | Descriptor: | Cell division cycle protein CDT1, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ... | Authors: | Zhai, Y, Cheng, E, Wu, H, Li, N, Yung, P.Y, Gao, N, Tye, B.K. | Deposit date: | 2017-04-09 | Release date: | 2017-05-03 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Open-ringed structure of the Cdt1-Mcm2-7 complex as a precursor of the MCM double hexamer Nat. Struct. Mol. Biol., 24, 2017
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4ONK
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![BU of 4onk by Molmil](/molmil-images/mine/4onk) | [Leu-5]-Enkephalin mutant - YVVFL | Descriptor: | [Leu-5]-Enkephalin mutant - YVVFL | Authors: | Sangwan, S, Eisenberg, D, Sawaya, M.R, Do, T.D, Bowers, M.T, Lapointe, N.E, Teplow, D.B, Feinstein, S.C. | Deposit date: | 2014-01-28 | Release date: | 2014-07-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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1HOS
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![BU of 1hos by Molmil](/molmil-images/mine/1hos) | |
4KGA
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![BU of 4kga by Molmil](/molmil-images/mine/4kga) | Crystal structure of kallikrein-related peptidase 4 | Descriptor: | 1,2-ETHANEDIOL, Kallikrein-4, NICKEL (II) ION | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | Deposit date: | 2013-04-29 | Release date: | 2014-04-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics Sci Rep, 6, 2016
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4OXB
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![BU of 4oxb by Molmil](/molmil-images/mine/4oxb) | |
1HWJ
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5X9S
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![BU of 5x9s by Molmil](/molmil-images/mine/5x9s) | Crystal structure of fully modified H-Ras-GppNHp | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Matsumoto, S, Ke, H, Murashima, Y, Taniguchi-Tamura, H, Miyamoto, R, Yoshikawa, Y, Kumasaka, T, Mizohata, E, Edamatsu, H, Kataoka, T. | Deposit date: | 2017-03-09 | Release date: | 2017-08-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for intramolecular interaction of post-translationally modified H-RasGTP prepared by protein ligation FEBS Lett., 591, 2017
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3DNB
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5DJ9
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![BU of 5dj9 by Molmil](/molmil-images/mine/5dj9) | Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with gabaculine | Descriptor: | 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, ... | Authors: | 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) | Deposit date: | 2015-09-01 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with gabaculine To Be Published
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