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6BVT
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BU of 6bvt by Molmil
Importin alpha 1 in cargo free state
Descriptor: Importin subunit alpha-1
Authors:Smith, K.M, Tsimablyuk, S, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
Deposit date:2017-12-13
Release date:2018-07-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
6OE1
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BU of 6oe1 by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-03-27
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
6H1E
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BU of 6h1e by Molmil
Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide
Descriptor: HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ...
Authors:Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R.
Deposit date:2018-07-11
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
6XD5
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BU of 6xd5 by Molmil
Apo KPC-2 N170A mutant at 1.20 A
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2020-06-10
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
6HSB
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BU of 6hsb by Molmil
The crystal structure of type II Dehydroquinase from Acidithiobacillus caldus SM-1
Descriptor: 3-dehydroquinate dehydratase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL
Authors:Lapthorn, A.J, Roszak, A.W.
Deposit date:2018-09-29
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
To Be Published
6BW5
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BU of 6bw5 by Molmil
Human GPT (DPAGT1) in complex with tunicamycin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase
Authors:Yoo, J, Kuk, A.C.Y, Mashalidis, E.H, Lee, S.-Y.
Deposit date:2017-12-14
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:GlcNAc-1-P-transferase-tunicamycin complex structure reveals basis for inhibition of N-glycosylation.
Nat. Struct. Mol. Biol., 25, 2018
7BIW
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BU of 7biw by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187
Descriptor: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-13
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
6OE5
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BU of 6oe5 by Molmil
Splayed open prefusion RSV F captured by CR9501 and motavizumab Fabs
Descriptor: CR9501 Fab Heavy Chain, CR9501 Fab Light Chain, Fusion glycoprotein F0,Fibritin, ...
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2019-03-27
Release date:2019-04-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Transient opening of trimeric prefusion RSV F proteins.
Nat Commun, 10, 2019
6C65
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BU of 6c65 by Molmil
Crystal Structure of the Mango-II-A22U Fluorescent Aptamer Bound to TO1-Biotin
Descriptor: 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium, POTASSIUM ION, RNA (35-MER), ...
Authors:Trachman, R.J, Ferre-D'Amare, A.R.
Deposit date:2018-01-17
Release date:2018-08-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.80005169 Å)
Cite:Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness.
Biochemistry, 57, 2018
8A33
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BU of 8a33 by Molmil
Crystal structure of PpSB1-LOV-K117E mutant (light state)
Descriptor: Flavin mononucleotide (semi-quinone intermediate), Sensory box protein
Authors:Batra-Safferling, R, Granzin, J, Krauss, U.
Deposit date:2022-06-07
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of PpSB1-LOV-K117E mutant (light state)
To Be Published
7BJB
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BU of 7bjb by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044
Descriptor: 14-3-3 protein sigma, 4-(4-methylphenyl)sulfonylmorpholine, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-14
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
6HNK
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BU of 6hnk by Molmil
The ligand-free, open structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile.
Descriptor: ABC-type transport system, sugar-family extracellular solute-binding protein
Authors:Bradshaw, W.J, Kovacs-Simon, A, Harmer, N.J, Michell, S.L, Acharya, K.R.
Deposit date:2018-09-15
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile.
J.Biol.Chem., 294, 2019
6H1X
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BU of 6h1x by Molmil
Receptor-binding domain of Proteus mirabilis Uroepithelial Cell Adhesin UcaD21-211
Descriptor: COBALT (II) ION, Putative fimbrial adhesin
Authors:Wangshu, J, Knight, S.D.
Deposit date:2018-07-12
Release date:2018-11-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of two fimbrial adhesins, AtfE and UcaD, from the uropathogen Proteus mirabilis.
Acta Crystallogr D Struct Biol, 74, 2018
8TUT
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BU of 8tut by Molmil
Merkel Cell Polyomavirus LTA NLSct bound to importin alpha 2
Descriptor: Importin subunit alpha-1, PRO-PRO-LYS-PRO-LYS-LYS-ASN-ARG-GLU
Authors:Cross, E.M, Forwood, J.K, Alvisi, G.
Deposit date:2023-08-17
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals.
Protein Sci., 33, 2024
8A37
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BU of 8a37 by Molmil
Crystal structure of PpSB1-LOV-K117E mutant (dark state), tetragonal form
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, Sensory box protein
Authors:Batra-Safferling, R, Granzin, J.
Deposit date:2022-06-07
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of PpSB1-LOV-K117E mutant (dark state), tetragonal form
To Be Published
7BJ8
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BU of 7bj8 by Molmil
Structure of L1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
Descriptor: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2021-01-14
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
6HSU
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BU of 6hsu by Molmil
The crystal structure of type II Dehydroquinase from Psychromonas ingrahamii 37, crystal form 2
Descriptor: 3-dehydroquinate dehydratase, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ...
Authors:Lapthorn, A.J, Roszak, A.W.
Deposit date:2018-10-01
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of type II Dehydroquinase from Psychromonas ingrahamii 37
To Be Published
7SSF
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BU of 7ssf by Molmil
Light harvesting phycobiliprotein HaPE560 from the cryptophyte Hemiselmis andersenii CCMP644
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DiCys-(15,16)-Dihydrobiliverdin, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2021-11-10
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii
Commun Biol, 2023
6XEB
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BU of 6xeb by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E)
Descriptor: 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Clausen, D.
Deposit date:2020-06-12
Release date:2020-08-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
6BX8
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BU of 6bx8 by Molmil
Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C)
Descriptor: SULFATE ION, Tissue factor pathway inhibitor, Trypsin-3
Authors:Coban, M, Sankaran, B, Cohen, I, Hockla, A, Papo, N, Radisky, E.S.
Deposit date:2017-12-18
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J. Biol. Chem., 294, 2019
7SUT
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BU of 7sut by Molmil
Light harvesting phycobiliprotein HaPE645 from the cryptophyte Hemiselmis andersenii CCMP644
Descriptor: (15,16)-DIHYDROBILIVERDIN (SINGLY LINKED), 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2021-11-18
Release date:2023-10-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii.
Commun Biol, 6, 2023
8A5K
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BU of 8a5k by Molmil
Structural analysis of 1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, CALCIUM ION, GLYCEROL, ...
Authors:Hamid, R, Hirsch, A.
Deposit date:2022-06-15
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding.
J.Biol.Chem., 299, 2023
6H2C
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BU of 6h2c by Molmil
Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct derived from clavulanic acid.
Descriptor: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, ACETATE ION, Beta-lactamase, ...
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
6OFR
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BU of 6ofr by Molmil
The crystal structure of the outer membrane transporter YddB from Escherichia coli
Descriptor: GLYCEROL, MAGNESIUM ION, TonB-dependent outer membrane receptor, ...
Authors:Grinter, R.
Deposit date:2019-04-01
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protease-associated import systems are widespread in Gram-negative bacteria.
Plos Genet., 15, 2019
6H2I
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BU of 6h2i by Molmil
Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of tazobactam.
Descriptor: ACETATE ION, Beta-lactamase, TAZOBACTAM INTERMEDIATE
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019

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数据于2024-10-02公开中

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