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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
Descriptor: aBAK
Authors:Bera, A.K, Berger, S.A, Baker, D.
Deposit date:2022-09-16
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ...
Authors:Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Uhimchuk, D.
Deposit date:2023-01-12
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.86 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ...
Authors:Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Uhimchuk, D.
Deposit date:2023-01-10
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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)
Descriptor: COAT PROTEIN VP1, COAT PROTEIN VP2, COAT PROTEIN VP3, ...
Authors:Verdaguer, N, Blaas, D, Fita, I.
Deposit date:2000-08-31
Release date:2000-09-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: CARBONATE ION, FE (III) ION, SEROTRANSFERRIN
Authors:Nurizzo, D, Baker, H.M, Baker, E.N.
Deposit date:2000-09-04
Release date:2001-05-16
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Cep3, Ctf13, Skp1
Authors:Lee, P.D, Wei, H, Tan, D, Harrison, S.C.
Deposit date:2019-06-06
Release date:2019-09-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: Hydrolase
Authors:Puehringer, D, Grishkovskaya, I, Mlynek, G, Kostan, J.
Deposit date:2023-02-17
Release date:2024-02-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Lysozyme,Calcium uniporter protein, mitochondrial, SULFATE ION
Authors: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.
Deposit date:2015-01-22
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, RBL4
Authors:Jude, K.M, Jiang, H, Baker, D, Garcia, K.C.
Deposit date:2023-01-06
Release date:2024-04-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: MALONATE ION, RBL7_C2_3
Authors:Jude, K.M, Jiang, H, Baker, D, Garcia, K.C.
Deposit date:2023-01-06
Release date:2024-04-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.99 Å)
Cite: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
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Fractalkine, ...
Authors:Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C.
Deposit date:2015-01-22
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.886 Å)
Cite: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.
Descriptor: Beta-lactamase
Authors:Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
Deposit date:2015-02-06
Release date:2016-01-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite: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
Descriptor: ELONGATION FACTOR G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Laurberg, M, Kristensen, O, Martemyanov, K, Gudkov, A.T, Nagaev, I, Hughes, D, Liljas, A.
Deposit date:2000-08-22
Release date:2000-11-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CFA/I fimbrial subunit B, MAGNESIUM ION
Authors:Bao, R, Xia, D.
Deposit date:2015-02-10
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: MAGNESIUM ION, TUNGSTATE(VI)ION, magnesium-dependent phosphatase-1
Authors:Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-08-04
Release date:2004-10-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE
Authors:Williams, L.D, Sines, C.C, McFail-Isom, L, Howerton, S.B, VanDerveer, D.
Deposit date:2000-09-01
Release date:2000-11-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ...
Authors:Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
Deposit date:2015-01-16
Release date:2015-04-01
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ...
Authors: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)
Deposit date:2019-06-19
Release date:2019-07-24
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human PIM1
To Be Published
6P3L
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BU of 6p3l by Molmil
Crystal Structure of Ketosteroid Isomerase from Mycobacterium hassiacum (mhKSI)
Descriptor: GUANIDINE, SULFATE ION, SnoaL-like domain protein
Authors:Yabukarski, F, Doukov, T, Pinney, M, Herschlag, D.
Deposit date:2019-05-23
Release date:2020-05-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.571 Å)
Cite: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
Descriptor: 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1
Authors: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)
Deposit date:2019-06-19
Release date:2019-07-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human PIM1
To Be Published
1FI7
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BU of 1fi7 by Molmil
Solution structure of the imidazole complex of cytochrome C
Descriptor: CYTOCHROME C, HEME C, IMIDAZOLE
Authors:Banci, L, Bertini, I, Liu, G, Lu, J, Reddig, T, Tang, W, Wu, Y, Zhu, D.
Deposit date:2000-08-03
Release date:2000-08-23
Last modified:2022-02-23
Method:SOLUTION NMR
Cite: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.
Descriptor: 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
Deposit date:2015-02-06
Release date:2016-01-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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)
Descriptor: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A
Authors:Feinberg, H, Torgersen, D, Drickamer, K, Weis, W.I.
Deposit date:2000-08-03
Release date:2000-08-23
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: Envelope protein E, prM protein, prM13 Fab Heavy Chain, ...
Authors: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.
Deposit date:2022-12-05
Release date:2023-02-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite: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
Descriptor: Envelope protein E, prM protein, prM12 Fab Heavy Chain, ...
Authors: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.
Deposit date:2022-12-05
Release date:2023-02-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (10.2 Å)
Cite:prM-reactive antibodies reveal a role for partially mature virions in dengue virus pathogenesis.
Proc.Natl.Acad.Sci.USA, 120, 2023

223790

数据于2024-08-14公开中

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