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2XKX
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BU of 2xkx by Molmil
Single particle analysis of PSD-95 in negative stain
Descriptor: DISKS LARGE HOMOLOG 4
Authors:Fomina, S, Howard, T.D, Sleator, O.K, Golovanova, M, O'Ryan, L, Leyland, M.L, Grossmann, J.G, Collins, R.F, Prince, S.M.
Deposit date:2010-07-15
Release date:2011-07-20
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (22.9 Å), SOLUTION SCATTERING
Cite:Self-Directed Assembly and Clustering of the Cytoplasmic Domains of Inwardly Rectifying Kir2.1 Potassium Channels on Association with Psd-95
Biochim.Biophys.Acta, 1808, 2011
6KCT
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BU of 6kct by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 5
Descriptor: 3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one, LYSINE, Lysine--tRNA ligase
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-29
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
1ZJA
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BU of 1zja by Molmil
Crystal structure of the trehalulose synthase MutB from Pseudomonas mesoacidophila MX-45 (triclinic form)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Trehalulose synthase
Authors:Ravaud, S, Robert, X, Haser, R, Aghajari, N.
Deposit date:2005-04-28
Release date:2006-10-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Trehalulose synthase native and carbohydrate complexed structures provide insights into sucrose isomerization.
J.Biol.Chem., 282, 2007
4CDX
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BU of 4cdx by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP12
Descriptor: 1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-(, SODIUM ION, VP1, ...
Authors:De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
Deposit date:2013-11-07
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
5BSV
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BU of 5bsv by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with feruloyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
2XGB
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BU of 2xgb by Molmil
Crystal structure of Barley Beta-Amylase complexed with 2,3- epoxypropyl-alpha-D-glucopyranoside
Descriptor: (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, BETA-AMYLASE
Authors:Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
Deposit date:2010-06-02
Release date:2010-12-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
4PPS
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BU of 4pps by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with an A-CD ring estrogen derivative
Descriptor: (1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W.
Deposit date:2014-02-27
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.929 Å)
Cite:Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
2XGI
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BU of 2xgi by Molmil
Crystal structure of Barley Beta-Amylase complexed with 3,4- epoxybutyl alpha-D-glucopyranoside
Descriptor: (3R)-3-hydroxybutyl alpha-D-glucopyranoside, (3S)-3-hydroxybutyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, ...
Authors:Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
Deposit date:2010-06-04
Release date:2010-12-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Chemical genetics and cereal starch metabolism: structural basis of the non-covalent and covalent inhibition of barley beta-amylase.
Mol Biosyst, 7, 2011
4POK
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BU of 4pok by Molmil
Crystal structures of thioredoxin with mesna at 2.5A resolution
Descriptor: 1-THIOETHANESULFONIC ACID, Thioredoxin
Authors:Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H.
Deposit date:2014-02-25
Release date:2014-10-29
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
6KI9
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BU of 6ki9 by Molmil
Apo structure of FabMG, novel types of Enoyl-acyl carrier protein reductase
Descriptor: 1,2-ETHANEDIOL, FabMG, novel types of Enoyl-acyl carrier protein reductase, ...
Authors:Kim, S, Rhee, S.
Deposit date:2019-07-17
Release date:2020-05-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A triclosan-resistance protein from the soil metagenome is a novel enoyl-acyl carrier protein reductase: Structure-guided functional analysis.
Febs J., 287, 2020
6KFZ
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BU of 6kfz by Molmil
SufS from Bacillus subtilis, soaked with L-cysteine for 90 sec at 1.96 angstrom resolution
Descriptor: Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE
Authors:Nakamura, R, Takahashi, Y, Fujishiro, T.
Deposit date:2019-07-09
Release date:2019-10-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
4PPB
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BU of 4ppb by Molmil
ITK kinase domain with compound 28 (N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Descriptor: N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Eigenbrot, C, Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4XI8
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BU of 4xi8 by Molmil
Crystal Structure of the FIC domain of Bep5 protein (VirB-translocated Bartonella effector protein) from Bartonella clarridgeiae
Descriptor: 1,2-ETHANEDIOL, Bartonella effector protein (Bep) substrate of VirB T4SS
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-01-06
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module.
Microorganisms, 9, 2021
5BJW
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BU of 5bjw by Molmil
X-ray structure of the PglF 4,6-dehydratase from campylobacter jejuni, T595S variant, in complex with UDP
Descriptor: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Riegert, A.S, Thoden, J.B, Holden, H.M.
Deposit date:2017-09-12
Release date:2017-11-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Biochemical Investigation of PglF from Campylobacter jejuni Reveals a New Mechanism for a Member of the Short Chain Dehydrogenase/Reductase Superfamily.
Biochemistry, 56, 2017
4PS6
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BU of 4ps6 by Molmil
Crystal structure of an inhibitor of vertebrate lysozyme (PA3902) from Pseudomonas aeruginosa PAO1 at 1.25 A resolution
Descriptor: Inhibitor of vertebrate lysozyme
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-03-06
Release date:2014-04-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of an inhibitor of vertebrate lysozyme (PA3902) from Pseudomonas aeruginosa PAO1 at 1.25 A resolution
To be published
1ZOP
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BU of 1zop by Molmil
CD11A I-DOMAIN WITH BOUND MAGNESIUM ION
Descriptor: CHLORIDE ION, I-DOMAIN FRAGMENT OF LFA-1, MANGANESE (II) ION
Authors:Leahy, D.J, Qu, A.
Deposit date:1996-06-21
Release date:1996-12-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of the divalent cation in the structure of the I domain from the CD11a/CD18 integrin.
Structure, 4, 1996
4XDQ
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BU of 4xdq by Molmil
Crystal structure of a Glycoside hydrolase family protein (Rv0315 ortholog) from Mycobacterium thermorestibile
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, CADMIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-12-19
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of a Glycoside hydrolase family protein (Rv0315 ortholog) from Mycobacterium thermorestibile
To Be Published
2XNK
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BU of 2xnk by Molmil
Structure and function of the Rad9-binding region of the DNA damage checkpoint adaptor TopBP1
Descriptor: DNA TOPOISOMERASE 2-BINDING PROTEIN 1, GLYCEROL
Authors:Rappas, M, Oliver, A.W, Pearl, L.H.
Deposit date:2010-08-03
Release date:2010-09-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Function of the Rad9-Binding Region of the DNA-Damage Checkpoint Adaptor Topbp1.
Nucleic Acids Res., 39, 2011
5XU2
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BU of 5xu2 by Molmil
Crystal Structure of Transketolase in complex with TPP_III and fructose-6-phosphate from Pichia Stipitis
Descriptor: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-22
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
4XEW
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BU of 4xew by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Descriptor: 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Finzel, B.C, Dai, R.
Deposit date:2014-12-25
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
7EG1
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BU of 7eg1 by Molmil
Cryo-EM structure of DNMDP-induced PDE3A-SLFN12 complex
Descriptor: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, Schlafen family member 12, ...
Authors:Liu, N, Chen, J, Wang, X.D, Wang, H.W.
Deposit date:2021-03-23
Release date:2021-11-03
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of PDE3A-SLFN12 complex and structure-based design for a potent apoptosis inducer of tumor cells.
Nat Commun, 12, 2021
170L
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BU of 170l by Molmil
PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME
Descriptor: BETA-MERCAPTOETHANOL, T4 LYSOZYME
Authors:Zhang, X.-J, Weaver, L.H, Wozniak, A, Matthews, B.W.
Deposit date:1995-03-24
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
4Q5J
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BU of 4q5j by Molmil
Crystal structure of SeMet derivative BRI1 in complex with BKI1
Descriptor: BRI1 kinase inhibitor 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein BRASSINOSTEROID INSENSITIVE 1
Authors:Wang, J, Wang, J, Chen, L, Wu, J.W, Wang, Z.X.
Deposit date:2014-04-17
Release date:2014-10-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.772 Å)
Cite:Structural insights into the negative regulation of BRI1 signaling by BRI1-interacting protein BKI1.
Cell Res., 24, 2014
6DQP
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BU of 6dqp by Molmil
Crystal structure of SsuE FMN reductase Delta118 mutant in apo form
Descriptor: FMN reductase (NADPH), GLYCEROL
Authors:McFarlane, J.S, Ellis, H.R, Lamb, A.L.
Deposit date:2018-06-11
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.546 Å)
Cite:Not as easy as pi : An insertional residue does not explain the pi-helix gain-of-function in two-component FMN reductases.
Protein Sci., 28, 2019
3HN5
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BU of 3hn5 by Molmil
Crystal structure of BF0290 (YP_210027.1) from Bacteroides fragilis NCTC 9343 at 1.70 A resolution
Descriptor: Putative exported protein BF0290
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-05-29
Release date:2009-06-23
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of BF0290 (YP_210027.1) from Bacteroides fragilis NCTC 9343 at 1.70 A resolution
To be published

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數據於2025-11-19公開中

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