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6QUT
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BU of 6qut by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-28
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
4W94
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BU of 4w94 by Molmil
Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2
Descriptor: CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ...
Authors:Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T.
Deposit date:2014-08-27
Release date:2014-12-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
Inorg.Chem., 54, 2015
4W9E
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BU of 4w9e by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 4)
Descriptor: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
6QVJ
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BU of 6qvj by Molmil
HsCKK (human CAMSAP1) decorated 14pf taxol-GDP microtubule
Descriptor: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
Deposit date:2019-03-02
Release date:2019-11-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
4W9P
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BU of 4w9p by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F.
Deposit date:2014-08-27
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
8SKV
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BU of 8skv by Molmil
Structure of human SIgA1 in complex with Streptococcus pyogenes protein M4 (Arp4)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IgA receptor, ...
Authors:Liu, Q, Stadtmueller, B.M.
Deposit date:2023-04-20
Release date:2023-10-25
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:SIgA structures bound to Streptococcus pyogenes M4 and human CD89 provide insights into host-pathogen interactions.
Nat Commun, 14, 2023
6QNW
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Influenza A Polymerase Heterotrimer Human H3N2 Northern Territory 1968
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
Authors:Keown, J.R, Fan, H, Grimes, J.M.
Deposit date:2019-02-12
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
4W9W
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BU of 4w9w by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762
Descriptor: 1,2-ETHANEDIOL, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, BMP-2-inducible protein kinase
Authors:Sorrell, F.J, Elkins, J.M, Krojer, T, Savitsky, P, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-08-28
Release date:2014-09-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
6QW2
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BU of 6qw2 by Molmil
The Transcriptional Regulator PrfA-A218G mutant from Listeria Monocytogenes
Descriptor: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION
Authors:Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
Deposit date:2019-03-05
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
5KX2
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BU of 5kx2 by Molmil
NMR Solution Structure of Designed Peptide NC_cEE_D1
Descriptor: Designed peptide NC_cEE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
4U0O
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BU of 4u0o by Molmil
Crystal structure of Thermosynechococcus elongatus Lipoyl Synthase 2 complexed with MTA and DTT
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5'-DEOXY-5'-METHYLTHIOADENOSINE, IRON/SULFUR CLUSTER, ...
Authors:Harmer, J.E, Hiscox, M.J, Dinis, P.C, Sandy, J, Roach, P.L.
Deposit date:2014-07-13
Release date:2014-08-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of lipoyl synthase reveal a compact active site for controlling sequential sulfur insertion reactions.
Biochem.J., 464, 2014
6QWB
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BU of 6qwb by Molmil
Crystal structure of KPC-4 complexed with relebactam (16 hour soak)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Beta-lactamase, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
8T23
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BU of 8t23 by Molmil
Cryo-EM structure of the RBD-ACE2 interface of the SARS-CoV-2 trimeric spike protein bound to ACE2 receptor after local refinement at upRBD conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B.
Deposit date:2023-06-05
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
1EPL
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BU of 1epl by Molmil
A STRUCTURAL COMPARISON OF 21 INHIBITOR COMPLEXES OF THE ASPARTIC PROTEINASE FROM ENDOTHIA PARASITICA
Descriptor: ENDOTHIAPEPSIN, PS1, PRO-LEU-GLU-PSA-ARG-LEU
Authors:Al-Karadaghi, S, Cooper, J.B, Strop, P, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica.
Protein Sci., 3, 1994
5KUX
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BU of 5kux by Molmil
Designed influenza hemagglutinin binding protein HSB.2
Descriptor: Designed influenza inhibitor protein HSB.2
Authors:Lee, P.S, Bernard, S.M, Wilson, I.A.
Deposit date:2016-07-13
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
4WBR
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BU of 4wbr by Molmil
Structure of Bradyrhizobium japonicum ScoI with copper bound
Descriptor: Blr1131 protein, COPPER (II) ION
Authors:Quade, N, Abicht, H.K, Hennecke, H, Glockshuber, R.
Deposit date:2014-09-03
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Bradyrhizobium japonicum ScoI with copper bound
To Be Published
6QZ2
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BU of 6qz2 by Molmil
Structure of MHETase from Ideonella sakaiensis
Descriptor: CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase
Authors:Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E.
Deposit date:2019-03-10
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization and engineering of a two-enzyme system for plastics depolymerization.
Proc.Natl.Acad.Sci.USA, 117, 2020
4WC3
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BU of 4wc3 by Molmil
Structure of tRNA-processing enzyme complex 1
Descriptor: Poly A polymerase, RNA 76-mer
Authors:Yamashita, S, Tomita, K.
Deposit date:2014-09-04
Release date:2015-04-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
4U4G
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BU of 4u4g by Molmil
Structure of GluA2* in complex with competitive antagonist ZK 200775
Descriptor: Glutamate receptor 2, beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
Authors:Yelshanskaya, M.V, Li, M, Sobolevsky, A.I.
Deposit date:2014-07-23
Release date:2014-10-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.49 Å)
Cite:Structure of an agonist-bound ionotropic glutamate receptor.
Science, 345, 2014
4WCM
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BU of 4wcm by Molmil
Crystal Structure of Cell Shape Determinant protein Csd4 Gln46His variant from Helicobacter pylori
Descriptor: 2,6-DIAMINOPIMELIC ACID, Conserved hypothetical secreted protein, IODIDE ION, ...
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2014-09-05
Release date:2014-12-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Helical Shape of Helicobacter pylori Requires an Atypical Glutamine as a Zinc Ligand in the Carboxypeptidase Csd4.
J.Biol.Chem., 290, 2015
6QLV
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BU of 6qlv by Molmil
Crystal structure of W200H UbiX in complex with a geranyl-FMN N5 adduct
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2019-02-01
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.391 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
4WDH
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BU of 4wdh by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168A
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ACETIC ACID, CHLORIDE ION
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-08
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4WED
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BU of 4wed by Molmil
Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
Descriptor: ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ...
Authors:Shabalin, I.G, Otwinowski, Z, Bacal, P, Cymborowski, M.T, Handing, K.B, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-09-09
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
to be published
8SL1
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BU of 8sl1 by Molmil
Cryo-EM structure of PAPP-A2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Judge, R.A, Stoll, V.S, Eaton, D, Hao, Q, Bratkowski, M.A.
Deposit date:2023-04-20
Release date:2023-11-08
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Cryo-EM structure of human PAPP-A2 and mechanism of substrate recognition.
Commun Chem, 6, 2023
6QN2
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Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-08
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020

223790

數據於2024-08-14公開中

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