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7TWI
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BU of 7twi by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 539 kGy)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWG
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BU of 7twg by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 153 kGy)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWS
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BU of 7tws by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 10 (P43 crystal form)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWJ
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BU of 7twj by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 4 (P43 crystal form)
Descriptor: CITRIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWN
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BU of 7twn by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 5 (P43 crystal form)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWO
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BU of 7two by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 6 (P43 crystal form)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWH
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BU of 7twh by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 290 kGy)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
2M1C
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BU of 2m1c by Molmil
HADDOCK structure of GtYybT PAS Homodimer
Descriptor: DHH subfamily 1 protein
Authors:Liang, Z.X, Pervushin, K, Tan, E, Rao, F, Pasunooti, S, Soehano, I, Lescar, J.
Deposit date:2012-11-25
Release date:2013-03-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the PAS Domain of a Thermophilic YybT Protein Homolog Reveals a Potential Ligand-binding Site.
J.Biol.Chem., 288, 2013
4H2W
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BU of 4h2w by Molmil
Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and AMP
Descriptor: 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, Amino acid--[acyl-carrier-protein] ligase 1, ...
Authors:Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M.
Deposit date:2012-09-13
Release date:2013-03-06
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013
4R9C
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BU of 4r9c by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.5, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
5WP2
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BU of 5wp2 by Molmil
1.44 Angstrom crystal structure of CYP121 from Mycobacterium tuberculosis in complex with substrate and CN
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, CYANIDE ION, Mycocyclosin synthase, ...
Authors:Fielding, A, Dornevil, K, Liu, A.
Deposit date:2017-08-03
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.439 Å)
Cite:Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature.
J. Am. Chem. Soc., 139, 2017
6VCV
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BU of 6vcv by Molmil
Aspergillus fumigatus FKBP12 protein bound with APX879 in P1 space group
Descriptor: FK506-binding protein 1A, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
3MOL
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BU of 3mol by Molmil
Structure of dimeric holo HasAp H32A Mutant from Pseudomonas aeruginosa to 1.20A Resolution
Descriptor: Heme acquisition protein HasAp, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Battaile, K.P, Jepkorir, G, Rodriguez, J.C, Rui, H, Im, W, Alontaga, A.Y, Yukl, E, Moenne-Loccoz, P, Rivera, M.
Deposit date:2010-04-22
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural, NMR Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore HasAp from Pseudomonas aeruginosa.
J.Am.Chem.Soc., 132, 2010
3UK0
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BU of 3uk0 by Molmil
RPD_1889 protein, an extracellular ligand-binding receptor from Rhodopseudomonas palustris.
Descriptor: 1,2-ETHANEDIOL, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, Extracellular ligand-binding receptor, ...
Authors:Osipiuk, J, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-11-08
Release date:2011-11-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
6DO7
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BU of 6do7 by Molmil
NMR solution structure of wild type hFABP1 with GW7647
Descriptor: Fatty acid-binding protein, liver
Authors:Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R.
Deposit date:2018-06-09
Release date:2019-01-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
6DTG
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BU of 6dtg by Molmil
Crystal structure of Haemophilus influenzae OppA complex with YLGANGRGGGS
Descriptor: Periplasmic oligopeptide-binding protein, TYR-LEU-GLY-ALA-ASN-GLY
Authors:Tanaka, K.J, Pinkett, H.W.
Deposit date:2018-06-16
Release date:2018-11-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket.
J. Biol. Chem., 294, 2019
6DQR
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BU of 6dqr by Molmil
Crystal structure of Haemophilus influenzae OppA complex with MGG
Descriptor: ACETATE ION, MET-GLY-GLY, Periplasmic oligopeptide-binding protein, ...
Authors:Tanaka, K.J, Pinkett, H.W.
Deposit date:2018-06-11
Release date:2018-11-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket.
J. Biol. Chem., 294, 2019
1VK8
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BU of 1vk8 by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE THIAMINE BIOSYNTHESIS/SALVAGE PROTEIN (TM0486) FROM THERMOTOGA MARITIMA AT 1.80 A RESOLUTION
Descriptor: UNKNOWN LIGAND, hypothetical protein TM0486
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2004-05-05
Release date:2004-05-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:TM0486 from the hyperthermophilic anaerobe Thermotoga maritima is a thiamin-binding protein involved in response of the cell to oxidative conditions.
J.Mol.Biol., 400, 2010
3I7L
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BU of 3i7l by Molmil
Crystal Structure of DDB1 in Complex with the H-Box Motif of DDB2
Descriptor: DNA damage-binding protein 1, DNA damage-binding protein 2
Authors:Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N.
Deposit date:2009-07-08
Release date:2009-12-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery.
Nat.Struct.Mol.Biol., 17, 2010
2Y32
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BU of 2y32 by Molmil
Crystal structure of bradavidin
Descriptor: BLR5658 PROTEIN
Authors:Leppiniemi, J, Gronroos, T, Johnson, M.S, Kulomaa, M.S, Hytonen, V.P, Airenne, T.T.
Deposit date:2010-12-17
Release date:2011-12-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of Bradavidin - C-Terminal Residues Act as Intrinsic Ligands.
Plos One, 7, 2012
8DPR
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BU of 8dpr by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248
Descriptor: 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2022-07-16
Release date:2022-08-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
2FD4
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BU of 2fd4 by Molmil
Crystal Structure of AvrPtoB (436-553)
Descriptor: avirulence protein AvrptoB
Authors:Janjusevic, R, Stebbins, C.E.
Deposit date:2005-12-13
Release date:2005-12-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A bacterial inhibitor of host programmed cell death defenses is an E3 ubiquitin ligase.
Science, 311, 2006
7XV3
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BU of 7xv3 by Molmil
Cryo-EM structure of LPS-bound GPR174 in complex with Gs protein
Descriptor: (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, Engineered G protein subunit S (mini-Gs), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:He, Y, Liang, J.
Deposit date:2022-05-20
Release date:2023-02-15
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural basis of lysophosphatidylserine receptor GPR174 ligand recognition and activation.
Nat Commun, 14, 2023
3L03
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BU of 3l03 by Molmil
Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estetrol (Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol)
Descriptor: (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol, CHLORIDE ION, Estrogen receptor, ...
Authors:Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L.
Deposit date:2009-12-09
Release date:2010-12-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol
To be Published
5MIO
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BU of 5mio by Molmil
KIF2C-DARPIN FUSION PROTEIN BOUND TO TUBULIN
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF2C,KIF2C FUSED TO A DARPIN,KIF2C FUSED TO A DARPIN, ...
Authors:Wang, W, Gigant, B.
Deposit date:2016-11-28
Release date:2017-07-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Insight into microtubule disassembly by kinesin-13s from the structure of Kif2C bound to tubulin.
Nat Commun, 8, 2017

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数据于2025-07-09公开中

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