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8EJA
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BU of 8eja by Molmil
Computational design of potent and selective inhibitors of Bak and Bax
分子名称: aBAK
著者Bera, A.K, Berger, S.A, Baker, D.
登録日2022-09-16
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Computational design of potent and selective inhibitors of Bak and Bax
To Be Published
8C6K
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BU of 8c6k by Molmil
Double mutant A(L53)C/I(L64)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ...
著者Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Uhimchuk, D.
登録日2023-01-12
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds.
Membranes (Basel), 13, 2023
8C5X
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BU of 8c5x by Molmil
Double mutant A(L37)C/S(L99)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ...
著者Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Uhimchuk, D.
登録日2023-01-10
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds.
Membranes (Basel), 13, 2023
1FPN
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BU of 1fpn by Molmil
HUMAN RHINOVIRUS SEROTYPE 2 (HRV2)
分子名称: COAT PROTEIN VP1, COAT PROTEIN VP2, COAT PROTEIN VP3, ...
著者Verdaguer, N, Blaas, D, Fita, I.
登録日2000-08-31
公開日2000-09-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of human rhinovirus serotype 2 (HRV2).
J.Mol.Biol., 300, 2000
1FQF
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BU of 1fqf by Molmil
CRYSTAL STRUCTURES OF MUTANT (K296A) THAT ABOLISH THE DILYSINE INTERACTION IN THE N-LOBE OF HUMAN TRANSFERRIN
分子名称: CARBONATE ION, FE (III) ION, SEROTRANSFERRIN
著者Nurizzo, D, Baker, H.M, Baker, E.N.
登録日2000-09-04
公開日2001-05-16
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures and iron release properties of mutants (K206A and K296A) that abolish the dilysine interaction in the N-lobe of human transferrin.
Biochemistry, 40, 2001
6P7V
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BU of 6p7v by Molmil
Structure of the K. lactis CBF3 core
分子名称: Cep3, Ctf13, Skp1
著者Lee, P.D, Wei, H, Tan, D, Harrison, S.C.
登録日2019-06-06
公開日2019-09-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of the Centromere Binding Factor 3 Complex from Kluyveromyces lactis.
J.Mol.Biol., 431, 2019
8CLN
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BU of 8cln by Molmil
Zearalenone lactonase from Streptomyces coelicoflavus, SeMet derivative for SAD phasing
分子名称: Hydrolase
著者Puehringer, D, Grishkovskaya, I, Mlynek, G, Kostan, J.
登録日2023-02-17
公開日2024-02-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
4XSJ
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BU of 4xsj by Molmil
Crystal structure of the N-terminal domain of the human mitochondrial calcium uniporter fused with T4 lysozyme
分子名称: Lysozyme,Calcium uniporter protein, mitochondrial, SULFATE ION
著者Lee, Y, Min, C.K, Kim, T.G, Song, H.K, Lim, Y, Kim, D, Shin, K, Kang, M, Kang, J.Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Lim, J.J, Kim, J.H, Kim, J.H, Park, Z.Y, Kim, Y.-S, Wang, J, Kim, D.H, Eom, S.H.
登録日2015-01-22
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function of the N-terminal domain of the human mitochondrial calcium uniporter.
Embo Rep., 16, 2015
8FRE
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BU of 8fre by Molmil
Designed loop protein RBL4
分子名称: 1,2-ETHANEDIOL, RBL4
著者Jude, K.M, Jiang, H, Baker, D, Garcia, K.C.
登録日2023-01-06
公開日2024-04-17
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of buttressed loops for sculpting protein functions.
Nat.Chem.Biol., 20, 2024
8FRF
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BU of 8frf by Molmil
Homodimeric designed loop protein RBL7_C2_3
分子名称: MALONATE ION, RBL7_C2_3
著者Jude, K.M, Jiang, H, Baker, D, Garcia, K.C.
登録日2023-01-06
公開日2024-04-17
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献De novo design of buttressed loops for sculpting protein functions.
Nat.Chem.Biol., 20, 2024
4XT1
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BU of 4xt1 by Molmil
Structure of a nanobody-bound viral GPCR bound to human chemokine CX3CL1
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Fractalkine, ...
著者Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C.
登録日2015-01-22
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.886 Å)
主引用文献Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor.
Science, 347, 2015
4Y0O
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BU of 4y0o by Molmil
Crystal structure of OXA-58, a carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii.
分子名称: Beta-lactamase
著者Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
登録日2015-02-06
公開日2016-01-13
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
1FNM
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BU of 1fnm by Molmil
STRUCTURE OF THERMUS THERMOPHILUS EF-G H573A
分子名称: ELONGATION FACTOR G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Laurberg, M, Kristensen, O, Martemyanov, K, Gudkov, A.T, Nagaev, I, Hughes, D, Liljas, A.
登録日2000-08-22
公開日2000-11-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of a mutant EF-G reveals domain III and possibly the fusidic acid binding site.
J.Mol.Biol., 303, 2000
4Y2N
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BU of 4y2n by Molmil
Structure of CFA/I pili major subunit CfaB trimer
分子名称: 1,2-ETHANEDIOL, CFA/I fimbrial subunit B, MAGNESIUM ION
著者Bao, R, Xia, D.
登録日2015-02-10
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Off-pathway assembly of fimbria subunits is prevented by chaperone CfaA of CFA/I fimbriae from enterotoxigenic E. coli.
Mol. Microbiol., 102, 2016
1U7P
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BU of 1u7p by Molmil
X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
分子名称: MAGNESIUM ION, TUNGSTATE(VI)ION, magnesium-dependent phosphatase-1
著者Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2004-08-04
公開日2004-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Biochemistry, 43, 2004
1FQ2
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BU of 1fq2 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE POTASSIUM FORM OF B-DNA DODECAMER CGCGAATTCGCG
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE
著者Williams, L.D, Sines, C.C, McFail-Isom, L, Howerton, S.B, VanDerveer, D.
登録日2000-09-01
公開日2000-11-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Cations Mediate B-DNA Conformational Heterogeneity
J.Am.Chem.Soc., 122, 2000
4XNV
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BU of 4xnv by Molmil
The human P2Y1 receptor in complex with BPTU
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ...
著者Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
登録日2015-01-16
公開日2015-04-01
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
6PDN
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BU of 6pdn by Molmil
Human PIM1 bound to benzothiophene inhibitor 292
分子名称: 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ...
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-19
公開日2019-07-24
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human PIM1
To Be Published
6P3L
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BU of 6p3l by Molmil
Crystal Structure of Ketosteroid Isomerase from Mycobacterium hassiacum (mhKSI)
分子名称: GUANIDINE, SULFATE ION, SnoaL-like domain protein
著者Yabukarski, F, Doukov, T, Pinney, M, Herschlag, D.
登録日2019-05-23
公開日2020-05-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献Parallel molecular mechanisms for enzyme temperature adaptation.
Science, 371, 2021
6PDO
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BU of 6pdo by Molmil
Human PIM1 bound to benzothiophene inhibitor 354
分子名称: 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-19
公開日2019-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human PIM1
To Be Published
1FI7
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BU of 1fi7 by Molmil
Solution structure of the imidazole complex of cytochrome C
分子名称: CYTOCHROME C, HEME C, IMIDAZOLE
著者Banci, L, Bertini, I, Liu, G, Lu, J, Reddig, T, Tang, W, Wu, Y, Zhu, D.
登録日2000-08-03
公開日2000-08-23
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Effects of extrinsic imidazole ligation on the molecular and electronic structure of cytochrome c
J.Biol.Inorg.Chem., 6, 2001
4Y0U
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BU of 4y0u by Molmil
Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii.
分子名称: 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
登録日2015-02-06
公開日2016-01-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
1FIF
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BU of 1fif by Molmil
N-ACETYLGALACTOSAMINE-SELECTIVE MUTANT OF MANNOSE-BINDING PROTEIN-A (QPDWG-HDRPY)
分子名称: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A
著者Feinberg, H, Torgersen, D, Drickamer, K, Weis, W.I.
登録日2000-08-03
公開日2000-08-23
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism of pH-dependent N-acetylgalactosamine binding by a functional mimic of the hepatocyte asialoglycoprotein receptor.
J.Biol.Chem., 275, 2000
8FE4
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BU of 8fe4 by Molmil
Structure of dengue virus (DENV2) in complex with prM13, an anti-PrM monoclonal antibody
分子名称: Envelope protein E, prM protein, prM13 Fab Heavy Chain, ...
著者Dowd, A.D, Sirohi, D, Speer, S, Mukherjee, S, Govero, J, Aleshnick, M, Larman, B, Sukupolvi-Petty, S, Sevvana, M, Miller, A.S, Klose, T, Zheng, A, Kielian, M, Kuhn, R.J, Diamond, M.S, Pierson, T.C.
登録日2022-12-05
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (9.8 Å)
主引用文献prM-reactive antibodies reveal a role for partially mature virions in dengue virus pathogenesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FE3
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BU of 8fe3 by Molmil
Structure of dengue virus (DENV2) in complex with prM12, an anti-PrM monoclonal antibody
分子名称: Envelope protein E, prM protein, prM12 Fab Heavy Chain, ...
著者Dowd, A.D, Sirohi, D, Speer, S, Mukherjee, S, Govero, J, Aleshnick, M, Larman, B, Sukupolvi-Petty, S, Sevvana, M, Miller, A.S, Klose, T, Zheng, A, Kielian, M, Kuhn, R.J, Diamond, M.S, Pierson, T.C.
登録日2022-12-05
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (10.2 Å)
主引用文献prM-reactive antibodies reveal a role for partially mature virions in dengue virus pathogenesis.
Proc.Natl.Acad.Sci.USA, 120, 2023

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件を2024-08-14に公開中

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