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5IM6
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BU of 5im6 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I32-28
Descriptor: Designed self-assembling icosahedral cage I32-28 dimeric subunit, Designed self-assembling icosahedral cage I32-28 trimeric subunit
Authors:Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
Deposit date:2016-03-05
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5.588 Å)
Cite:Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
8VM5
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BU of 8vm5 by Molmil
Composite structure of human FASN with NADPH in State 5
Descriptor: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Schultz, K, Marmorstein, R.
Deposit date:2024-01-12
Release date:2025-02-26
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Snapshots of acyl carrier protein shuttling in human fatty acid synthase.
Nature, 641, 2025
5IE4
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BU of 5ie4 by Molmil
Crystal structure of a lactonase mutant in complex with substrate a
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
6W4Y
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BU of 6w4y by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with hydantoin stabilizer
Descriptor: 2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide, GLYCEROL, JTO light chain, ...
Authors:Yan, N.L, Morgan, G.J, Kelly, J.W.
Deposit date:2020-03-11
Release date:2020-07-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis for the stabilization of amyloidogenic immunoglobulin light chains by hydantoins.
Bioorg.Med.Chem.Lett., 30, 2020
8W37
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BU of 8w37 by Molmil
Structure and interactions of HIV-1 gp41 CHR-NHR reverse hairpin constructs reveal molecular determinants of antiviral activity
Descriptor: SULFATE ION, Transmembrane protein gp41
Authors:McAndrew, R.P, Ralston, C.Y, Gochin, M.
Deposit date:2024-02-22
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity.
J.Mol.Biol., 436, 2024
5INM
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BU of 5inm by Molmil
Mouse Tdp2 protein, apo state with variable DNA-binding grasp conformations
Descriptor: GLYCEROL, MAGNESIUM ION, SULFATE ION, ...
Authors:Schellenberg, M.J, Williams, R.S.
Deposit date:2016-03-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
8W32
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BU of 8w32 by Molmil
Structure and interactions of HIV-1 gp41 CHR-NHR reverse hairpin constructs reveal molecular determinants of antiviral activity
Descriptor: GLYCEROL, SULFATE ION, Transmembrane protein gp41
Authors:McAndrew, R.P, Ralston, C.Y, Gochin, M.
Deposit date:2024-02-21
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity.
J.Mol.Biol., 436, 2024
6W1A
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BU of 6w1a by Molmil
Crystal structure of Streptococcus dysgalactiae SHP pheromone receptor Rgg2 bound to DNA
Descriptor: DNA (30-MER), GLYCEROL, PHOSPHATE ION, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2020-03-03
Release date:2020-10-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-function studies of Rgg binding to pheromones and target promoters reveal a model of transcription factor interplay.
Proc.Natl.Acad.Sci.USA, 117, 2020
8VM6
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BU of 8vm6 by Molmil
Composite structure of human FASN with NADPH in State 8
Descriptor: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Schultz, K, Marmorstein, R.
Deposit date:2024-01-13
Release date:2025-02-26
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Snapshots of acyl carrier protein shuttling in human fatty acid synthase.
Nature, 641, 2025
8VM7
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BU of 8vm7 by Molmil
Composite structure of human FASN with NADPH in State 7
Descriptor: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Schultz, K, Marmorstein, R.
Deposit date:2024-01-13
Release date:2025-02-26
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Snapshots of acyl carrier protein shuttling in human fatty acid synthase.
Nature, 641, 2025
5VM1
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BU of 5vm1 by Molmil
Crystal structure of a xyloylose kinase from Brucella ovis
Descriptor: Xylulokinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-26
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of a xyloylose kinase from
To Be Published
5VD2
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BU of 5vd2 by Molmil
crystal structure of human WEE1 kinase domain in complex with PF-03814735
Descriptor: CHLORIDE ION, N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide, PHOSPHATE ION, ...
Authors:Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-04-01
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
8W1M
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BU of 8w1m by Molmil
T.thermophilus DNAK nucleotide binding domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Chaperone protein DnaK, ...
Authors:Miller, D.J, Kalodimos, C.
Deposit date:2024-02-16
Release date:2025-02-26
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:T.thermophilus DNAK nucleotide binding domain in complex with ADP
To Be Published
5IPB
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BU of 5ipb by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
8W3U
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BU of 8w3u by Molmil
Structure of Epimerase Mth373 from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S.
Deposit date:2024-02-22
Release date:2025-02-26
Last modified:2025-09-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterisation of nucleotide sugar short-chain dehydrogenases/reductases from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus Delta H.
Febs J., 2025
6W5F
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BU of 6w5f by Molmil
Class D beta-lactamase BSU-2 delta mutant
Descriptor: 1,2-ETHANEDIOL, BSU-2delta mutant, DI(HYDROXYETHYL)ETHER, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
8VLO
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BU of 8vlo by Molmil
Composite structure of human FASN with NADPH in State 2
Descriptor: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Schultz, K, Marmorstein, R.
Deposit date:2024-01-11
Release date:2025-02-26
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Snapshots of acyl carrier protein shuttling in human fatty acid synthase.
Nature, 641, 2025
5IPF
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BU of 5ipf by Molmil
Crystal structure of Hypoxanthine-guanine phosphoribosyltransferase from Schistosoma mansoni in complex with IMP
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), INOSINIC ACID
Authors:Romanello, L, Torini, J.R.S, Bird, L.E, Nettleship, J.E, Owens, R.J, DeMarco, R, Pereira, H.M, Brandao-Neto, J.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In vitro and in vivo characterization of the multiple isoforms of Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferases.
Mol. Biochem. Parasitol., 229, 2019
5VDQ
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BU of 5vdq by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 2',5'-GpAp
Descriptor: 2',5'-GpAp, Cyclic GMP-AMP synthase, ZINC ION
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.246 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
8W39
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BU of 8w39 by Molmil
Vibrio vulnificus SmcR bound to the inhibitor PTSP
Descriptor: (3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine, SmcR
Authors:Paczkowski, J.E, Brockley, M.W, van Kessel, J.C.
Deposit date:2024-02-22
Release date:2025-02-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand binding determines proteolytic stability of Vibrio LuxR/HapR quorum sensing transcription factors
To Be Published
5VE3
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BU of 5ve3 by Molmil
Crystal structure of wild-type persulfide dioxygenase-rhodanese fusion protein from Burkholderia phytofirmans
Descriptor: BpPRF, FE (III) ION
Authors:Motl, N, Skiba, M.A, Smith, J.L, Banerjee, R.
Deposit date:2017-04-03
Release date:2017-07-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:Structural and biochemical analyses indicate that a bacterial persulfide dioxygenase-rhodanese fusion protein functions in sulfur assimilation.
J. Biol. Chem., 292, 2017
6W6N
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BU of 6w6n by Molmil
K106L/A131E mutant of cytochrome P460 from Nitrosomonas sp. AL212
Descriptor: Cytochrome P460, HEME C
Authors:Coleman, R.E, Lancaster, K.M.
Deposit date:2020-03-17
Release date:2020-06-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Heme-Lys Cross-Link in Cytochrome P460 Promotes Catalysis by Enforcing Secondary Coordination Sphere Architecture.
Biochemistry, 59, 2020
8VMC
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BU of 8vmc by Molmil
Composite structure of human FASN with NADPH in State 6
Descriptor: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Schultz, K, Marmorstein, R.
Deposit date:2024-01-13
Release date:2025-02-26
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Snapshots of acyl carrier protein shuttling in human fatty acid synthase.
Nature, 641, 2025
6W6X
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BU of 6w6x by Molmil
Crystal Structure of ABLE Apo-protein
Descriptor: ACETATE ION, De novo designed ABLE protein, SULFATE ION
Authors:Polizzi, N.F.
Deposit date:2020-03-18
Release date:2020-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.297 Å)
Cite:A defined structural unit enables de novo design of small-molecule-binding proteins.
Science, 369, 2020
8VLE
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BU of 8vle by Molmil
Composite structure of human FASN with NADPH in State 1
Descriptor: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Schultz, K, Marmorstein, R.
Deposit date:2024-01-11
Release date:2025-02-26
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Snapshots of acyl carrier protein shuttling in human fatty acid synthase.
Nature, 641, 2025

243531

数据于2025-10-22公开中

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