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3IYH
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BU of 3iyh by Molmil
P22 procapsid coat protein structures reveal a novel mechanism for capsid maturation: Stability without auxiliary proteins or chemical cross-links
Descriptor: Coat protein
Authors:Parent, K.N, Khayat, R, Tu, L.H, Suhanovsky, M.M, Cortines, J.R, Teschke, C.M, Johnson, J.E, Baker, T.S.
Deposit date:2009-12-14
Release date:2010-03-31
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:P22 coat protein structures reveal a novel mechanism for capsid maturation: stability without auxiliary proteins or chemical crosslinks
Structure, 18, 2010
1MVS
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BU of 1mvs by Molmil
Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase
Descriptor: 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A.
Deposit date:2002-09-26
Release date:2003-04-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1XO3
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BU of 1xo3 by Molmil
Solution Structure of Ubiquitin like protein from Mus Musculus
Descriptor: RIKEN cDNA 2900073H19
Authors:Singh, S, Tonelli, M, Tyler, R.C, Bahrami, A, Lee, M.S, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2004-10-05
Release date:2004-10-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional structure of the AAH26994.1 protein from Mus musculus, a putative eukaryotic Urm1.
Protein Sci., 14, 2005
4KAP
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BU of 4kap by Molmil
The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand
Descriptor: 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Lange, H, Lockett, M.R, Breiten, B, Heroux, A, Sherman, W, Rappoport, D, Yau, P.O, Snyder, P.W, Whitesides, G.M.
Deposit date:2013-04-22
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand.
Angew.Chem.Int.Ed.Engl., 52, 2013
4U2X
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BU of 4u2x by Molmil
Ebola virus VP24 in complex with Karyopherin alpha 5 C-terminus
Descriptor: CHLORIDE ION, Importin subunit alpha-6, Membrane-associated protein VP24
Authors:Xu, W, Leung, D, Borek, D, Amarasinghe, G.
Deposit date:2014-07-18
Release date:2014-08-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.153 Å)
Cite:Ebola Virus VP24 Targets a Unique NLS Binding Site on Karyopherin Alpha 5 to Selectively Compete with Nuclear Import of Phosphorylated STAT1.
Cell Host Microbe, 16, 2014
6II1
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BU of 6ii1 by Molmil
Crystal Structure Analysis of CO form hemoglobin from Bos taurus
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Kihira, K, Morita, Y, Yamada, T, Kureishi, M, Komatsu, T.
Deposit date:2018-10-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Quaternary Structure Analysis of a Hemoglobin Core in Hemoglobin-Albumin Cluster.
J Phys Chem B, 122, 2018
2KPC
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BU of 2kpc by Molmil
Structure determination of the top-loop of the conserved 3 terminal secondary structure in the genome of YFV
Descriptor: RNA (5'-R(*UP*GP*AP*GP*CP*AP*CP*AP*GP*UP*UP*UP*GP*CP*UP*CP*A)-3')
Authors:Lescrinier, E, Dyubankova, N, Nauwelaerts, K, Jones, R, Herdewijn, P.
Deposit date:2009-10-12
Release date:2010-06-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure Determination of the Top-Loop of the Conserved 3'-Terminal Secondary Structure in the Genome of Flaviviruses.
Chembiochem, 11, 2010
4EO6
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BU of 4eo6 by Molmil
HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres
Descriptor: 5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid, RNA-directed RNA polymerase
Authors:Appleby, T.C, Canales, E, Watkins, W.J.
Deposit date:2012-04-13
Release date:2012-06-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6IHX
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BU of 6ihx by Molmil
Crystal Structure Analysis of bovine Hemoglobin modified by SNP
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Kihira, K, Morita, Y, Yamada, T, Kureishi, M, Komatsu, T.
Deposit date:2018-10-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Quaternary Structure Analysis of a Hemoglobin Core in Hemoglobin-Albumin Cluster.
J Phys Chem B, 122, 2018
2WOZ
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BU of 2woz by Molmil
The novel beta-propeller of the BTB-Kelch protein Krp1 provides the binding site for Lasp-1 that is necessary for pseudopodia extension
Descriptor: KELCH REPEAT AND BTB DOMAIN-CONTAINING PROTEIN 10
Authors:Gray, C.H, McGarry, L.C, Spence, H.J, Riboldi-Tunnicliffe, A, Ozanne, B.W.
Deposit date:2009-07-31
Release date:2009-09-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel beta-propeller of the BTB-Kelch protein Krp1 provides a binding site for Lasp-1 that is necessary for pseudopodial extension.
J. Biol. Chem., 284, 2009
4MAQ
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BU of 4maq by Molmil
Crystal Structure of a putative fumarylpyruvate hydrolase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, Putative fumarylpyruvate hydrolase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-08-16
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of a putative fumarylpyruvate hydrolase from Burkholderia cenocepacia
To be Published
2WVR
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BU of 2wvr by Molmil
Human Cdt1:Geminin complex
Descriptor: DNA REPLICATION FACTOR CDT1, GEMININ
Authors:De Marco, V, Perrakis, A.
Deposit date:2009-10-19
Release date:2009-10-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Quaternary Structure of the Human Cdt1-Geminin Complex Regulates DNA Replication Licensing.
Proc.Natl.Acad.Sci.USA, 106, 2009
5OQ3
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BU of 5oq3 by Molmil
High resolution structure of the functional region of Cwp19 from Clostridium difficile
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cwp19, ...
Authors:Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R.
Deposit date:2017-08-10
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The molecular structure of the glycoside hydrolase domain of Cwp19 from Clostridium difficile.
FEBS J., 284, 2017
2XHJ
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BU of 2xhj by Molmil
Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules. SeMet form of vCBM60.
Descriptor: CALCIUM ION, CALCIUM-DEPENDENT CARBOHYDRATE BINDING MODULE
Authors:Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J.
Deposit date:2010-06-16
Release date:2010-07-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules
J.Biol.Chem., 285, 2010
6JKU
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BU of 6jku by Molmil
Crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella Multocida
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ...
Authors:Manjunath, L, Bose, S, Subramanian, R.
Deposit date:2019-03-01
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Quaternary variations in the structural assembly of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella multocida.
Proteins, 2020
2WYG
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BU of 2wyg by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs
Descriptor: (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN
Authors:Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J.
Deposit date:2009-11-16
Release date:2010-12-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
3FW6
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BU of 3fw6 by Molmil
Crystal structure of CelM2, a bifunctional glucanase-xylanase protein from a metagenome library
Descriptor: Cellulase, ZINC ION
Authors:Hwang, K.Y, Nam, K.H.
Deposit date:2009-01-17
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of CelM2, a bifunctional glucanase-xylanase protein from a metagenome library
Biochem.Biophys.Res.Commun., 383, 2009
5OQ2
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BU of 5oq2 by Molmil
Se-SAD structure of the functional region of Cwp19 from Clostridium difficile
Descriptor: 1,2-ETHANEDIOL, Cwp19, PHOSPHATE ION
Authors:Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R.
Deposit date:2017-08-10
Release date:2017-11-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The molecular structure of the glycoside hydrolase domain of Cwp19 from Clostridium difficile.
FEBS J., 284, 2017
1LOF
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BU of 1lof by Molmil
X-RAY STRUCTURE OF A BIANTENNARY OCTASACCHARIDE-LECTIN COMPLEX AT 2.3 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose, CALCIUM ION, LEGUME ISOLECTIN I (ALPHA CHAIN), ...
Authors:Bourne, Y, Cambillau, C.
Deposit date:1993-01-27
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray structure of a biantennary octasaccharide-lectin complex refined at 2.3-A resolution.
J.Biol.Chem., 267, 1992
4HRR
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BU of 4hrr by Molmil
Scapharca tetrameric hemoglobin, CO-state
Descriptor: CARBON MONOXIDE, Globin-2 A chain, Hemoglobin B chain, ...
Authors:Royer, W.E.
Deposit date:2012-10-28
Release date:2013-03-13
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Tertiary and Quaternary Allostery in Tetrameric Hemoglobin from Scapharca inaequivalvis.
Biochemistry, 52, 2013
3IS9
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BU of 3is9 by Molmil
Crystal structure of the HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate).
Descriptor: Reverse transcriptase, Reverse transcriptase/ribonuclease H, dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)
Authors:Ho, W.C, Bauman, J.D, Das, K, Arnold, E.
Deposit date:2009-08-25
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystallographic study of a novel subnanomolar inhibitor provides insight on the binding interactions of alkenyldiarylmethanes with human immunodeficiency virus-1 reverse transcriptase.
J.Med.Chem., 52, 2009
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
6HNI
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BU of 6hni by Molmil
The ligand-bound, closed structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile.
Descriptor: 1,2-ETHANEDIOL, 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 (1.35 Å)
Cite:Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile.
J.Biol.Chem., 294, 2019
4OWK
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BU of 4owk by Molmil
Crystal Structure of the Vibrio vulnificus Hemolysin/Cytolysin Beta-Trefoil Lectin with N-Acetyl-D-Galactosamine Bound
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Cytolysin, GLYCEROL
Authors:Kaus, K, Olson, R.
Deposit date:2014-02-02
Release date:2014-05-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Glycan Specificity of the Vibrio vulnificus Hemolysin Lectin Outlines Evolutionary History of Membrane Targeting by a Toxin Family.
J.Mol.Biol., 426, 2014
3G49
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BU of 3g49 by Molmil
N-(Pyridin-2-yl) Arylsulfonamide Inhibitors of 11b-Hydroxysteroid Dehydrogenase Type 1: Discovery of PF-915275
Descriptor: 11-beta-hydroxysteroid dehydrogenase 1, 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pauly, T.A.
Deposit date:2009-02-03
Release date:2009-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275.
Bioorg.Med.Chem.Lett., 19, 2009

238582

数据于2025-07-09公开中

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