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5KRT
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HIV-1 Integrase Catalytic Core Domain (CCD) in Complex with a Fragment-Derived Allosteric Inhibitor
分子名称: 3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid, Integrase
著者Patel, D, Bauman, J.D, Arnold, E.
登録日2016-07-07
公開日2016-09-28
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain.
J.Biol.Chem., 291, 2016
7N16
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BU of 7n16 by Molmil
Structure of TAX-4_R421W apo closed state
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, SODIUM ION
著者Zheng, X, Li, H, Hu, Z, Su, D, Yang, J.
登録日2021-05-27
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and functional characterization of an achromatopsia-associated mutation in a phototransduction channel.
Commun Biol, 5, 2022
1P2Y
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BU of 1p2y by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME P450CAM IN COMPLEX WITH (S)-(-)-NICOTINE
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE
著者Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P.
登録日2003-04-16
公開日2003-10-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger).
Biochemistry, 42, 2003
1SGH
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BU of 1sgh by Molmil
Moesin FERM domain bound to EBP50 C-terminal peptide
分子名称: Ezrin-radixin-moesin binding phosphoprotein 50, Moesin
著者Finnerty, C.M, Chambers, D, Ingraffea, J, Faber, H.R, Karplus, P.A, Bretscher, A.
登録日2004-02-23
公開日2004-06-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The EBP50-moesin interaction involves a binding site regulated by direct masking on the FERM domain
J.Cell.Sci., 117, 2004
1SIY
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BU of 1siy by Molmil
NMR structure of mung bean non-specific lipid transfer protein 1
分子名称: Nonspecific lipid-transfer protein 1
著者Lin, K.F, Liu, Y.N, Hsu, S.T.D, Samuel, D, Cheng, C.S, Bonvin, A.M.J.J, Lyu, P.C.
登録日2004-03-02
公開日2005-04-05
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Characterization and Structural Analyses of Nonspecific Lipid Transfer Protein 1 from Mung Bean
Biochemistry, 44, 2005
1OP9
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BU of 1op9 by Molmil
Complex of human lysozyme with camelid VHH HL6 antibody fragment
分子名称: HL6 camel VHH fragment, Lysozyme C
著者Dumoulin, M, Last, A.M, Desmyter, A, Decanniere, K, Canet, D, Larsson, G, Spencer, A, Archer, D.B, Sasse, J, Muyldermans, S, Wyns, L, Redfield, C, Matagne, A, Robinson, C.V, Dobson, C.M.
登録日2003-03-05
公開日2003-10-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A camelid antibody fragment inhibits the formation of amyloid fibrils by human lysozyme
Nature, 424, 2003
1P5F
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BU of 1p5f by Molmil
Crystal Structure of Human DJ-1
分子名称: RNA-binding protein regulatory subunit
著者Wilson, M.A, Collins, J.L, Hod, Y, Ringe, D, Petsko, G.A.
登録日2003-04-26
公開日2003-08-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The 1.1 A resolution crystal structure of DJ-1, the protein mutated in autosomal recessive early onset Parkinson's disease
Proc.Natl.Acad.Sci.USA, 100, 2003
7MX1
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PLK-1 polo-box domain in complex with a high affinity macrocycle synthesized using a novel glutamic acid analog
分子名称: ACE-PRO-LEU-ALA-SER-TPO, N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide, Serine/threonine-protein kinase PLK1
著者Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R.
登録日2021-05-17
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Design and synthesis of a new orthogonally protected glutamic acid analog and its use in the preparation of high affinity polo-like kinase 1 polo-box domain - binding peptide macrocycles.
Org.Biomol.Chem., 19, 2021
1R1N
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BU of 1r1n by Molmil
Tri-nuclear oxo-iron clusters in the ferric binding protein from N. gonorrhoeae
分子名称: Ferric-iron Binding Protein, OXO-IRON CLUSTER 1, OXO-IRON CLUSTER 2, ...
著者Zhu, H, Alexeev, D, Hunter, D.J, Campopiano, D.J, Sadler, P.J.
登録日2003-09-24
公開日2004-03-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Oxo-iron clusters in a bacterial iron-trafficking protein: new roles for a conserved motif.
Biochem.J., 376, 2003
1OQ5
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CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR
分子名称: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION
著者Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G.
登録日2003-03-07
公開日2004-03-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
J.Med.Chem., 47, 2004
7N4T
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BU of 7n4t by Molmil
Low conductance mechanosensitive channel YnaI
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Low conductance mechanosensitive channel YnaI
著者Catalano, C, Ben-Hail, D, Qiu, W, des Georges, A, Guo, Y.
登録日2021-06-04
公開日2022-04-20
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Cryo-EM Structure of Mechanosensitive Channel YnaI Using SMA2000: Challenges and Opportunities.
Membranes (Basel), 11, 2021
1R8T
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BU of 1r8t by Molmil
Solution structures of high affinity miniprotein ligands to Streptavidin
分子名称: MP1
著者Luo, J, Mukherjee, M, Fan, X, Yang, H, Liu, D, Khan, R, White, M, Fox, R.O.
登録日2003-10-28
公開日2005-02-15
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure-based design of high affinity miniprotein ligands
To be Published
5L7Z
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BU of 5l7z by Molmil
Structure of Exuperantia EXO-like domain
分子名称: Maternal protein exuperantia
著者Lazzaretti, D, Veith, K, Bono, F.
登録日2016-06-05
公開日2016-07-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The bicoid mRNA localization factor Exuperantia is an RNA-binding pseudonuclease.
Nat.Struct.Mol.Biol., 23, 2016
1P7S
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BU of 1p7s by Molmil
T4 LYSOZYME CORE REPACKING MUTANT V103I/TA
分子名称: LYSOZYME
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-05-05
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1OVQ
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BU of 1ovq by Molmil
Solution structure of the hypothetical protein YqgF from Escherichia coli
分子名称: Hypothetical protein yqgF
著者Liu, D, Wang, Y.S, Wyss, D.F.
登録日2003-03-27
公開日2003-11-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the hypothetical protein YqgF from Escherichia coli reveals an RNAse H fold.
J.Biomol.NMR, 27, 2003
1P94
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BU of 1p94 by Molmil
NMR Structure of ParG symmetric dimer
分子名称: plasmid partition protein ParG
著者Golovanov, A.P, Barilla, D, Golovanova, M, Hayes, F, Lian, L.Y.
登録日2003-05-09
公開日2004-01-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献ParG, a protein required for active partition of bacterial plasmids, has a dimeric ribbon-helix-helix structure.
Mol.Microbiol., 50, 2003
1RH6
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Bacteriophage Lambda Excisionase (Xis)-DNA Complex
分子名称: 5'-D(*CP*TP*AP*TP*GP*TP*AP*GP*TP*CP*TP*GP*TP*TP*G)-3', 5'-D(P*CP*AP*AP*CP*AP*GP*AP*CP*TP*AP*CP*AP*TP*AP*G)-3', Excisionase
著者Sam, M.D, Cascio, D, Johnson, R.C, Clubb, R.T.
登録日2003-11-13
公開日2004-06-29
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 the excisionase-DNA complex from bacteriophage lambda.
J.Mol.Biol., 338, 2004
1ONB
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BU of 1onb by Molmil
Solution structure of an engineered arginine-rich subdomain 2 of the hepatitis C virus NS3 RNA helicase
分子名称: helicase NS3
著者Liu, D, Wang, Y.S, Gesell, J.J, Wyss, D.F.
登録日2003-02-27
公開日2003-03-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure and backbone dynamics of an engineered arginine-rich subdomain 2 of the hepatitis C virus NS3 RNA helicase
J.Mol.Biol., 314, 2001
1OPO
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THE STRUCTURE OF CARNATION MOTTLE VIRUS
分子名称: CALCIUM ION, Coat protein, SULFATE ION
著者Morgunova, E, Dauter, Z, Fry, E, Stuart, D, Stel'mashchuk, V, Mikhailov, A.M, Wilson, K.S, Vainshtein, B.K.
登録日2003-03-06
公開日2003-04-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The atomic structure of Carnation Mottle Virus capsid protein
Febs Lett., 338, 1994
7N1S
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BU of 7n1s by Molmil
Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase
分子名称: Phosphodiesterase-nucleotide pyrophosphatase, TETRAETHYLENE GLYCOL, ZINC ION
著者Fernandez, D, Li, L, Brown, J.A, Carozza, J.A.
登録日2021-05-28
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
1P7G
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Crystal structure of superoxide dismutase from Pyrobaculum aerophilum
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, Superoxide dismutase
著者Lee, S, Sawaya, M.R, Eisenberg, D.
登録日2003-05-01
公開日2003-12-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of superoxide dismutase from Pyrobaculum aerophilum presents a challenging case in molecular replacement with multiple molecules, pseudo-symmetry and twinning.
Acta Crystallogr.,Sect.D, 59, 2003
1OQF
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Crystal structure of the 2-methylisocitrate lyase
分子名称: 2-methylisocitrate lyase
著者Liu, S, Lu, Z, Dunaway-Mariano, D, Herzberg, O, Structure 2 Function Project (S2F)
登録日2003-03-08
公開日2004-04-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structures of 2-methylisocitrate lyase in complex with product and with isocitrate inhibitor provide insight into lyase substrate specificity, catalysis and evolution.
Biochemistry, 44, 2005
5KLX
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Crystal Structure of SMT Fusion Peptidyl-Prolyl Cis-Trans Isomerase from Burkholderia Pseudomallei Complexed with SF110
分子名称: 2-[(2~{S})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate, Chimera protein of Ubiquitin-like protein SMT3 and Peptidyl-prolyl cis-trans isomerase, DI(HYDROXYETHYL)ETHER, ...
著者Fox III, D, Edwards, T.E.
登録日2016-06-26
公開日2017-05-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of SMT Fusion Peptidyl-Prolyl Cis-Trans Isomerase from Burkholderia Pseudomallei Complexed with SF110
To Be Published
5KNY
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Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with (3-((3R,4R)-3-(Guanin-9-yl)-4-((S)-2-hydroxy-2-phosphonoethoxy)pyrrolidin-1-yl)-3-oxopropyl)phosphonic acid
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid
著者Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W.
登録日2016-06-28
公開日2017-09-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate
To Be Published
1RTK
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Crystal Structure Analysis of the Bb segment of Factor B complexed with 4-guanidinobenzoic acid
分子名称: 4-carbamimidamidobenzoic acid, Complement factor B Bb fragment, IODIDE ION, ...
著者Ponnuraj, K, Xu, Y, Macon, K, Moore, D, Volanakis, J.E, Narayana, S.V.
登録日2003-12-10
公開日2004-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase.
Mol.Cell, 14, 2004

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