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2L78
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BU of 2l78 by Molmil
DESIGN AND STRUCTURAL ANALYSIS OF ALTERNATIVE HYDROPHOBIC CORE PACKING ARRANGEMENTS IN BACTERIOPHAGE T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Hurley, J.H, Matthews, B.W.
登録日1992-01-22
公開日1993-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and structural analysis of alternative hydrophobic core packing arrangements in bacteriophage T4 lysozyme.
J.Mol.Biol., 224, 1992
4OVL
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BU of 4ovl by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid, ACETIC ACID, ...
著者Peat, T.S.
登録日2013-11-21
公開日2014-03-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interrogating HIV integrase for compounds that bind--a SAMPL challenge.
J. Comput. Aided Mol. Des., 28, 2014
4QKS
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BU of 4qks by Molmil
Crystal Structure of 6xTrp/PV2: de novo designed beta-trefoil architecture with symmetric primary structure (L22W/L44W/L64W/L85W/L108W/L132W his Primitive Version 2)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DE NOVO PROTEIN 6XTRP/PV2, SULFATE ION
著者Longo, L.M, Tenorio, C.A, Blaber, M.
登録日2014-06-09
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A single aromatic core mutation converts a designed "primitive" protein from halophile to mesophile folding.
Protein Sci., 24, 2015
4TKQ
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BU of 4tkq by Molmil
Native-SAD phasing for YetJ from Bacillus Subtilis
分子名称: CALCIUM ION, CHLORIDE ION, Uncharacterized protein YetJ
著者Liu, Q, Chang, Y, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2014-05-27
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8025 Å)
主引用文献Multi-crystal native SAD analysis at 6 keV.
Acta Crystallogr.,Sect.D, 70, 2014
4R6C
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BU of 4r6c by Molmil
X-ray diffraction in temporally and spatially resolved biomolecular science: the X-ray crystal structure of hen egg white lysozyme cocrystallized with Ta6Br12 and then a crystal soaked in K2PtBr6
分子名称: BROMIDE ION, CHLORIDE ION, HEXABROMOPLATINATE(IV), ...
著者Helliwell, J.R.
登録日2014-08-24
公開日2015-02-04
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray diffraction in temporally and spatially resolved biomolecular science.
Faraday Discuss, 177, 2015
2L2B
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BU of 2l2b by Molmil
Structure of StnII-Y111N, a mutant of the sea anemone actinoporin Sticholysin II
分子名称: Sticholysin-2
著者Pardo-Cea, M.A, Bruix, M, Santoro, J.
登録日2010-08-16
公開日2011-06-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Intrinsic local disorder and a network of charge-charge interactions are key to actinoporin membrane disruption and cytotoxicity.
Febs J., 278, 2011
4RCP
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BU of 4rcp by Molmil
Crystal structure of Plk1 Polo-box domain in complex with PL-2
分子名称: 1,2-ETHANEDIOL, PL-2, Serine/threonine-protein kinase PLK1
著者Lee, W.C, Song, J.H, Kim, H.Y.
登録日2014-09-16
公開日2014-11-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1.
J.Med.Chem., 58, 2015
4RW2
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Hen egg-white lysozyme structure from a spent-beam experiment at LCLS: refocused beam
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Boutet, S, Foucar, L, Barends, T, Doak, R.B, Koglin, J.E, Messerschmidt, M, Nass, K, Schlichting, I, Shoeman, R, Williams, G.J.
登録日2014-12-01
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization and use of the spent beam for serial operation of LCLS.
J.SYNCHROTRON RADIAT., 22, 2015
4TKS
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BU of 4tks by Molmil
Native-SAD phasing for human EGFR kinase domain.
分子名称: Epidermal growth factor receptor
著者Cai, Z, Greene, M.I, Liu, Q.
登録日2014-05-27
公開日2014-10-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2017 Å)
主引用文献Multi-crystal native SAD analysis at 6 keV.
Acta Crystallogr.,Sect.D, 70, 2014
4TXY
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BU of 4txy by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase, a prokaryotic cGAS homolog
分子名称: Cyclic AMP-GMP synthase, MAGNESIUM ION
著者Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
登録日2014-07-07
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.0001 Å)
主引用文献Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
4U4S
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BU of 4u4s by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM25 at 1.90 A resolution.
分子名称: 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ...
著者Noerholm, A.B, Deva, T, Frydenvang, K, Kastrup, J.S.
登録日2014-07-24
公開日2014-11-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
4U4X
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BU of 4u4x by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM37 at 1.56 A resolution.
分子名称: 4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Noerholm, A.B, Frydenvang, K, Kastrup, J.S.
登録日2014-07-24
公開日2014-11-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
2JH6
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BU of 2jh6 by Molmil
Human Thrombin Hirugen Inhibitor complex
分子名称: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
著者Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
登録日2007-02-20
公開日2007-05-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
2LEG
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BU of 2leg by Molmil
Membrane protein complex DsbB-DsbA structure by joint calculations with solid-state NMR and X-ray experimental data
分子名称: Disulfide bond formation protein B, Thiol:disulfide interchange protein DsbA, UBIQUINONE-1, ...
著者Tang, M, Sperling, L.J, Berthold, D.A, Schwieters, C.D, Nesbitt, A.E, Nieuwkoop, A.J, Gennis, R.B, Rienstra, C.M.
登録日2011-06-15
公開日2011-10-26
最終更新日2023-06-14
実験手法SOLID-STATE NMR
主引用文献High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data.
J.Biomol.Nmr, 51, 2011
2LY6
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BU of 2ly6 by Molmil
Refined solution structure of recombinant brazzein at low temperature
分子名称: Defensin-like protein
著者Cornilescu, C.C, Cornilescu, G, Tonelli, M, Markley, J.L, Assadi-Porter, F.M.
登録日2012-09-12
公開日2012-10-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Temperature-dependent conformational change affecting Tyr11 and sweetness loops of brazzein.
Proteins, 81, 2013
7NXZ
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BU of 7nxz by Molmil
Synthetic glycoform of Human Interleukin 6
分子名称: Interleukin-6
著者Weyand, M, Unverzagt, C.
登録日2021-03-19
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Natural Glycoforms of Human Interleukin 6 Show Atypical Plasma Clearance.
Angew.Chem.Int.Ed.Engl., 60, 2021
5BUN
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BU of 5bun by Molmil
Crystal structure of an antigenic outer membrane protein ST50 from Salmonella Typhi
分子名称: Outer membrane protein, octyl beta-D-glucopyranoside
著者Yoshimura, M, Chuankhayan, P, Lin, C.C, Chen, N.C, Yang, M.C, Fun, H.K.
登録日2015-06-04
公開日2015-12-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Crystal structure of an antigenic outer-membrane protein from Salmonella Typhi suggests a potential antigenic loop and an efflux mechanism.
Sci Rep, 5, 2015
4UJA
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Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, BROMIDE ION, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-09
公開日2016-04-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
4UJ2
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Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-07
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.019 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
4UJB
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Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-09
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
5ANV
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BU of 5anv by Molmil
MTH1 in complex with compound 15
分子名称: 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Read, J.A, Breed, J.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
4UJ9
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Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-09
公開日2016-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
6Q6G
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BU of 6q6g by Molmil
Cryo-EM structure of the APC/C-Cdc20-Cdk2-cyclinA2-Cks2 complex, the D1 box class
分子名称: Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Zhang, S, Barford, D.
登録日2018-12-11
公開日2019-09-11
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cyclin A2 degradation during the spindle assembly checkpoint requires multiple binding modes to the APC/C.
Nat Commun, 10, 2019
4UJ1
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Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-07
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.768 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
5C58
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A double mutant of serratia marcescens hemophore receptor HasR in complex with its hemophore HasA and heme
分子名称: HasR protein, Hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE
著者Becker, S, Diederichs, K, Welte, W.
登録日2015-06-19
公開日2016-06-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.795 Å)
主引用文献Binding of HasA by its transmembrane receptor HasR follows a conformational funnel mechanism.
Eur.Biophys.J., 49, 2020

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