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3BCO
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BU of 3bco by Molmil
Crystal Structure of The Swapped FOrm of P19A/L28Q/N67D BS-RNase
分子名称: Seminal ribonuclease
著者Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F.
登録日2007-11-13
公開日2008-02-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme
J.Mol.Biol., 376, 2008
8UH3
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BU of 8uh3 by Molmil
Serotonin 1E receptor (5-HT1eR)-Gi1 Complex bound with Setiptiline
分子名称: 5-hydroxytryptamine receptor 1E, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wacker, D, Parpounas, A.K, Warren, A.L, Zilberg, G.
登録日2023-10-06
公開日2024-05-01
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structural insights into the unexpected agonism of tetracyclic antidepressants at serotonin receptors 5-HT 1e R and 5-HT 1F R.
Sci Adv, 10, 2024
8UGY
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BU of 8ugy by Molmil
Serotonin 1E receptor (5-HT1eR)-Gi1 Complex bound with Mianserin
分子名称: 5-hydroxytryptamine receptor 1E, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zilberg, G, Warren, A.L, Wacker, D.
登録日2023-10-06
公開日2024-05-01
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structural insights into the unexpected agonism of tetracyclic antidepressants at serotonin receptors 5-HT 1e R and 5-HT 1F R.
Sci Adv, 10, 2024
1UWH
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BU of 1uwh by Molmil
The complex of wild type B-RAF and BAY439006.
分子名称: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE, CHLORIDE ION
著者Barford, D, Roe, S.M, Wan, P.T.C, Cancer Genome Project
登録日2004-02-05
公開日2004-03-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Mechanism of Activation of the Raf-Erk Signaling Pathway by Oncogenic Mutations of B-Raf
Cell(Cambridge,Mass.), 116, 2004
6EP6
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BU of 6ep6 by Molmil
ARABIDOPSIS THALIANA GSTU23, reduced
分子名称: GLYCEROL, Glutathione S-transferase U23, MAGNESIUM ION
著者Tossounian, M.A, Van Molle, I, Wahni, K, Jacques, S, Vertommen, D, Gevaert, K, Van Breusegem, F, Young, D, Rosado, L, Messens, J.
登録日2017-10-10
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.592 Å)
主引用文献Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage.
Biochim. Biophys. Acta, 1862, 2018
1UT5
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BU of 1ut5 by Molmil
Divalent metal ions (manganese) bound to T5 5'-exonuclease
分子名称: EXODEOXYRIBONUCLEASE, MANGANESE (II) ION
著者Ceska, T.A, Sayers, J.R, Suck, D.
登録日2003-12-04
公開日2004-02-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Roles of Divalent Metal Ions in Flap Endonuclease-Substrate Interactions
Nat.Struct.Mol.Biol., 11, 2004
6EPN
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BU of 6epn by Molmil
Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F2
分子名称: 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
1UT8
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BU of 1ut8 by Molmil
Divalent metal ions (zinc) bound to T5 5'-exonuclease
分子名称: EXODEOXYRIBONUCLEASE, ZINC ION
著者Ceska, T.A, Sayers, J.R, Suck, D.
登録日2003-12-04
公開日2004-02-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Roles of Divalent Metal Ions in Flap Endonuclease-Substrate Interactions
Nat.Struct.Mol.Biol., 11, 2004
1UWJ
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BU of 1uwj by Molmil
The complex of mutant V599E B-RAF and BAY439006.
分子名称: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE
著者Barford, D, Roe, S.M, Wan, P.T.C, Cancer Genome Project
登録日2004-02-05
公開日2004-03-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Mechanism of Activation of the Raf-Erk Signaling Pathway by Oncogenic Mutations of B-Raf
Cell(Cambridge,Mass.), 116, 2004
6E74
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BU of 6e74 by Molmil
Structure of Human Transthyretin Leu55Pro Mutant in Complex with Tafamidis
分子名称: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin
著者Saelices, L, Chung, K, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2018-07-25
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Variants of Transthyretin
To Be Published
2RLQ
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BU of 2rlq by Molmil
NMR structure of CCP modules 2-3 of complement factor H
分子名称: Complement factor H
著者Hocking, H.G, Herbert, A.P, Pangburn, M.K, Kavanagh, D, Barlow, P.N, Uhrin, D.
登録日2007-07-29
公開日2008-02-19
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Structure of the N-terminal region of complement factor H and conformational implications of disease-linked sequence variations.
J.Biol.Chem., 283, 2008
3NBZ
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BU of 3nbz by Molmil
Crystal structure of the HIV-1 Rev NES-CRM1-RanGTP nuclear export complex (crystal I)
分子名称: Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D.
登録日2010-06-04
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1.
Nat.Struct.Mol.Biol., 17, 2010
2G38
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BU of 2g38 by Molmil
A PE/PPE Protein Complex from Mycobacterium tuberculosis
分子名称: MANGANESE (II) ION, PE FAMILY PROTEIN, PPE FAMILY PROTEIN
著者Strong, M, Sawaya, M.R, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2006-02-17
公開日2006-03-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Toward the structural genomics of complexes: Crystal structure of a PE/PPE protein complex from Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2YIG
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BU of 2yig by Molmil
MMP13 in complex with a novel selective non zinc binding inhibitor
分子名称: 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE, CALCIUM ION, COLLAGENASE 3, ...
著者Gerhardt, S, Hargreaves, D.
登録日2011-05-13
公開日2011-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selective Non Zinc Binding Inhibitors of Mmp13.
Bioorg.Med.Chem.Lett., 21, 2011
6EPO
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BU of 6epo by Molmil
RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3
分子名称: 3-(4-chlorophenyl)propan-1-amine, GLYCEROL, GTPase KRas, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6E70
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BU of 6e70 by Molmil
Structure of Wild Type Human Transthyretin in Complex with Diflunisal
分子名称: 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, CALCIUM ION, Transthyretin
著者Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2018-07-25
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Structural Variants of Transthyretin
To Be Published
3N8B
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BU of 3n8b by Molmil
Crystal Structure of Borrelia burgdorferi Pur-alpha
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein
著者Graebsch, A, Roche, S, Kostrewa, D, Niessing, D.
登録日2010-05-28
公開日2010-10-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Of bits and bugs--on the use of bioinformatics and a bacterial crystal structure to solve a eukaryotic repeat-protein structure.
Plos One, 5, 2010
7L0N
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BU of 7l0n by Molmil
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D.
登録日2020-12-11
公開日2021-02-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
6E76
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BU of 6e76 by Molmil
Structure of Human Transthyretin Asp38Ala/Thr119Met Mutant
分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ...
著者Saelices, L, Chung, K, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2018-07-25
公開日2019-07-31
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Variants of Transthyretin
To Be Published
2GYI
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BU of 2gyi by Molmil
DESIGN, SYNTHESIS, AND CHARACTERIZATION OF A POTENT XYLOSE ISOMERASE INHIBITOR, D-THREONOHYDROXAMIC ACID, AND HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHIC STRUCTURE OF THE ENZYME-INHIBITOR COMPLEX
分子名称: 2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC ACID, MAGNESIUM ION, XYLOSE ISOMERASE
著者Allen, K.N, Lavie, A, Petsko, G.A, Ringe, D.
登録日1994-09-01
公開日1995-07-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design, Synthesis, and Characterization of a Potent Xylose Isomerase Inhibitor, D-Threonohydroxamic Acid, and High-Resolution X-Ray Crystallographic Structure of the Enzyme-Inhibitor Complex
Biochemistry, 34, 1995
3NC0
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BU of 3nc0 by Molmil
Crystal structure of the HIV-1 Rev NES-CRM1-RanGTP nuclear export complex (crystal II)
分子名称: DI(HYDROXYETHYL)ETHER, Exportin-1, GLYCEROL, ...
著者Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D.
登録日2010-06-04
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1.
Nat.Struct.Mol.Biol., 17, 2010
2YND
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BU of 2ynd by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a pyrazole sulphonamide inhibitor.
分子名称: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
著者Wright, M.H, Clough, B, Rackham, M.D, Brannigan, J.A, Grainger, M, Bottrill, A.R, Heal, W.P, Broncel, M, Serwa, R.A, Mann, D, Leatherbarrow, R.J, Wilkinson, A.J, Holder, A.A, Tate, E.W.
登録日2012-10-13
公開日2014-01-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach.
Nat.Chem., 6, 2014
2R2D
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BU of 2r2d by Molmil
Structure of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens
分子名称: GLYCEROL, PHOSPHATE ION, ZINC ION, ...
著者Liu, D, Thomas, P.W, Momb, J, Hoang, Q, Petsko, G.A, Ringe, D, Fast, W.
登録日2007-08-24
公開日2007-10-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and specificity of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens.
Biochemistry, 46, 2007
2YMY
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Structure of the murine Nore1-Sarah domain
分子名称: CADMIUM ION, RAS ASSOCIATION DOMAIN-CONTAINING PROTEIN 5
著者Makbul, C, Schwarz, D, Aruxandei, D.C, Wolf, E, Hofmann, E, Herrmann, C.
登録日2012-10-10
公開日2013-03-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural and Thermodynamic Characterization of Nore1-Sarah: A Small, Helical Module Important in Signal Transduction Networks.
Biochemistry, 52, 2013
2Q9N
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4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity
分子名称: (1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase
著者Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T.
登録日2007-06-13
公開日2007-08-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007

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