2FNB
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![BU of 2fnb by Molmil](/molmil-images/mine/2fnb) | NMR STRUCTURE OF THE FIBRONECTIN ED-B DOMAIN, NMR, 20 STRUCTURES | Descriptor: | PROTEIN (FIBRONECTIN) | Authors: | Fattorusso, R, Pellecchia, M, Viti, F, Neri, P, Neri, D, Wuthrich, K. | Deposit date: | 1998-12-16 | Release date: | 1998-12-23 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structure of the human oncofoetal fibronectin ED-B domain, a specific marker for angiogenesis. Structure Fold.Des., 7, 1999
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2G1O
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4JDK
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2G26
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![BU of 2g26 by Molmil](/molmil-images/mine/2g26) | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | Descriptor: | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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2FRJ
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![BU of 2frj by Molmil](/molmil-images/mine/2frj) | Nitrosyl Horse Heart Myoglobin, Nitrite/Dithionite Method | Descriptor: | Myoglobin, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B. | Deposit date: | 2006-01-19 | Release date: | 2006-05-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin. J.Inorg.Biochem., 100, 2006
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2N9J
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![BU of 2n9j by Molmil](/molmil-images/mine/2n9j) | Solution structure of oxidized human cytochrome c | Descriptor: | Cytochrome c, HEME C | Authors: | Imai, M, Saio, T, Kumeta, H, Uchida, T, Inagaki, F, Ishimori, K. | Deposit date: | 2015-11-24 | Release date: | 2016-02-17 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Investigation of the redox-dependent modulation of structure and dynamics in human cytochrome c. Biochem.Biophys.Res.Commun., 469, 2016
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4JG8
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![BU of 4jg8 by Molmil](/molmil-images/mine/4jg8) | Structure of RSK2 T493M CTD mutant bound to 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl)acrylamide | Descriptor: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-3 | Authors: | Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J. | Deposit date: | 2013-02-28 | Release date: | 2013-04-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1002 Å) | Cite: | Electrophilic fragment-based design of reversible covalent kinase inhibitors. J.Am.Chem.Soc., 135, 2013
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2NR6
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![BU of 2nr6 by Molmil](/molmil-images/mine/2nr6) | Crystal structure of the complex of antibody and the allergen Bla g 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, ... | Authors: | Li, M, Gustchina, A, Wlodawer, A, Pomes, A, Wunschmann, S. | Deposit date: | 2006-11-01 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of a dimerized cockroach allergen Bla g 2 complexed with a monoclonal antibody. J.Biol.Chem., 283, 2008
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2NSR
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2NT4
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![BU of 2nt4 by Molmil](/molmil-images/mine/2nt4) | Receiver domain from Myxococcus xanthus social motility protein FrzS (H92F mutant) | Descriptor: | CHLORIDE ION, Response regulator homolog | Authors: | Echols, N, Fraser, J, Weisfield, S, Merlie, J, Zusman, D, Alber, T. | Deposit date: | 2006-11-06 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | An atypical receiver domain controls the dynamic polar localization of the Myxococcus xanthus social motility protein FrzS. Mol.Microbiol., 65, 2007
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2IO6
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![BU of 2io6 by Molmil](/molmil-images/mine/2io6) | Wee1 kinase complexed with inhibitor PD330961 | Descriptor: | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Wee1-like protein kinase | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | Deposit date: | 2006-10-10 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases. Eur.J.Med.Chem., 43, 2008
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2OJ2
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![BU of 2oj2 by Molmil](/molmil-images/mine/2oj2) | NMR Structure Analysis of the Hematopoetic Cell Kinase SH3 Domain complexed with an artificial high affinity ligand (PD1) | Descriptor: | Hematopoetic Cell Kinase, SH3 domain, artificial peptide PD1 | Authors: | Schmidt, H, Hoffmann, S, Tran, T, Stoldt, M, Stangler, T, Wiesehan, K, Willbold, D. | Deposit date: | 2007-01-12 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution Structure of a Hck SH3 Domain Ligand Complex Reveals Novel Interaction Modes J.Mol.Biol., 365, 2007
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2J8B
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![BU of 2j8b by Molmil](/molmil-images/mine/2j8b) | High resolution structure of human CD59 | Descriptor: | CD59 GLYCOPROTEIN | Authors: | Leath, K.J, Johnson, S, Roversi, P, Morgan, B.P, Smith, R.A.G, Lea, S.M. | Deposit date: | 2006-10-24 | Release date: | 2007-08-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | High-Resolution Structures of Bacterially Expressed Soluble Human Cd59. Acta Crystallogr.,Sect.F, 63, 2007
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2OHP
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![BU of 2ohp by Molmil](/molmil-images/mine/2ohp) | X-ray crystal structure of beta secretase complexed with compound 3 | Descriptor: | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Patel, S. | Deposit date: | 2007-01-10 | Release date: | 2007-05-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. J.Med.Chem., 50, 2007
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4JR7
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![BU of 4jr7 by Molmil](/molmil-images/mine/4jr7) | Crystal structure of scCK2 alpha in complex with GMPPNP | Descriptor: | Casein kinase II subunit alpha, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Liu, H. | Deposit date: | 2013-03-21 | Release date: | 2014-03-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway. Acta Crystallogr.,Sect.D, 70, 2014
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2NUZ
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![BU of 2nuz by Molmil](/molmil-images/mine/2nuz) | crystal structure of alpha spectrin SH3 domain measured at room temperature | Descriptor: | Spectrin alpha chain, brain | Authors: | Agarwal, V, Faelber, K, Hologne, M, Chevelkov, V, Oschkinat, H, Diehl, A, Reif, B. | Deposit date: | 2006-11-10 | Release date: | 2007-05-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Comparison of MAS solid-state NMR and X-ray crystallographic data in the analysis of protein dynamics in the solid state To be Published
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7XRR
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![BU of 7xrr by Molmil](/molmil-images/mine/7xrr) | Crystal structure of the human OX2R bound to the insomnia drug lemborexant. | Descriptor: | (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, Orexin receptor type 2 | Authors: | Asada, H, Im, D, Iwata, S. | Deposit date: | 2022-05-11 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Molecular basis for anti-insomnia drug design from structure of lemborexant-bound orexin 2 receptor. Structure, 30, 2022
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6Z52
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![BU of 6z52 by Molmil](/molmil-images/mine/6z52) | Crystal structure of CLK3 in complex with macrocycle ODS2003136 | Descriptor: | 1,2-ETHANEDIOL, 11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, CHLORIDE ION, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2003136 To Be Published
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2IN6
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![BU of 2in6 by Molmil](/molmil-images/mine/2in6) | Wee1 kinase complex with inhibitor PD311839 | Descriptor: | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID, Wee1-like protein kinase | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | Deposit date: | 2006-10-05 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases. Eur.J.Med.Chem., 43, 2008
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2NZ5
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![BU of 2nz5 by Molmil](/molmil-images/mine/2nz5) | Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2) | Descriptor: | Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE, naphthalene-1,2,4,5,7-pentol | Authors: | Zhao, B, Lamb, D.C, Kelly, S.L, Waterman, M.R. | Deposit date: | 2006-11-22 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2. Biochemistry, 46, 2007
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2IEO
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![BU of 2ieo by Molmil](/molmil-images/mine/2ieo) | Crystal structure analysis of HIV-1 protease mutant I84V with a potent non-peptide inhibitor (UIC-94017) | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, Protease, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-09-19 | Release date: | 2006-10-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains. J.Mol.Biol., 338, 2004
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2O2W
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6ZIW
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![BU of 6ziw by Molmil](/molmil-images/mine/6ziw) | The IRAK3 Pseudokinase Domain Bound To ATPgammaS | Descriptor: | Interleukin-1 receptor-associated kinase 3, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SULFATE ION | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Kraemer, A, Knapp, S. | Deposit date: | 2020-06-26 | Release date: | 2020-07-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | The IRAK3 Pseudokinase Domain Bound To ATPgammaS To Be Published
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2O31
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2IL1
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![BU of 2il1 by Molmil](/molmil-images/mine/2il1) | Crystal structure of a predicted human GTPase in complex with GDP | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-10-02 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a predicted human GTPase in complex with GDP To be Published
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