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6QGE
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BU of 6qge by Molmil
Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer
Descriptor: (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3
Authors:Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T.
Deposit date:2019-01-11
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.
J. Am. Chem. Soc., 141, 2019
5L20
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BU of 5l20 by Molmil
Crystal Structure of a Clostripain (BT_0727) from Bacteroides thetaiotaomicron ATCC 29148 in Complex with Peptide Inhibitor BTN-VLTK-AOMK
Descriptor: Clostripain-related protein, Peptide Inhibitor BTN-VLTK-AOMK
Authors:Wolan, D.W, Roncase, E.J.
Deposit date:2016-07-29
Release date:2017-08-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of a Clostripain (BT_0727) from Bacteroides thetaiotaomicron ATCC 29148 in Complex with Peptide Inhibitor BTN-VLTK-AOMK
To be published
4W9H
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BU of 4w9h by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 7)
Descriptor: N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-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 (2.1 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
6QL0
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BU of 6ql0 by Molmil
Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine derivative
Descriptor: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Ngo, K, Heine, A, Klebe, G.
Deposit date:2019-01-31
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.634 Å)
Cite:Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative
To Be Published
6QL9
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BU of 6ql9 by Molmil
Structure of Fatty acid synthase complex from Saccharomyces cerevisiae at 2.9 Angstrom
Descriptor: 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, ACETATE ION, ...
Authors:Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A.
Deposit date:2019-01-31
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 180, 2020
4WC6
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BU of 4wc6 by Molmil
Structure of tRNA-processing enzyme complex 4
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Poly A polymerase, RNA (75-mer)
Authors:Yamashita, S, Tomita, K.
Deposit date:2014-09-04
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
3LW6
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BU of 3lw6 by Molmil
Crystal Structure of Drosophila beta1,4-galactosyltransferase-7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-4-galactosyltransferase 7, MANGANESE (II) ION, ...
Authors:Ramakrishnan, B, Qasba, P.K.
Deposit date:2010-02-23
Release date:2010-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of the catalytic domain of Drosophila beta1,4-Galactosyltransferase-7.
J.Biol.Chem., 285, 2010
6QGN
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BU of 6qgn by Molmil
Crystal structure of APT1 bound to 2-Bromopalmitate
Descriptor: 2-Bromopalmitic acid, Acyl-protein thioesterase 1
Authors:Marcaida, M.J, Audagnotto, M, Ho, S, Pojer, F, Van der Goot, G, Dal Peraro, M.
Deposit date:2019-01-12
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains.
Nat.Chem.Biol., 2021
4WDF
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BU of 4wdf by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, complexed with 2',5'-ADP
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-5'-DIPHOSPHATE
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-08
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
6QHB
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BU of 6qhb by Molmil
Crystal Structure of Human Kallikrein 6 in complex with GSK578724A
Descriptor: GLYCEROL, Kallikrein-6, ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide
Authors:Thorpe, J.H.
Deposit date:2019-01-16
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
4WE6
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BU of 4we6 by Molmil
The crystal structure of hemagglutinin HA1 domain from influenza virus A/Perth/142/2007(H3N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin HA1 chain
Authors:Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Villanueva, J.M, Stevens, J.
Deposit date:2014-09-09
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins.
Virology, 477C, 2015
6QHR
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BU of 6qhr by Molmil
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1m
Descriptor: 1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
Authors:Wolle, P, Mueller, M.P, Rauh, D.
Deposit date:2019-01-17
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
6QI4
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BU of 6qi4 by Molmil
NCS-1 bound to a ligand
Descriptor: 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide, ACETATE ION, CALCIUM ION, ...
Authors:Sanchez-Barrena, M.J, Blanco-Gabella, P.
Deposit date:2019-01-17
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library.
Nat Commun, 10, 2019
6QIO
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BU of 6qio by Molmil
Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the human growth hormone derivative somapacitan
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, CYSTEINE, ...
Authors:Johansson, E.
Deposit date:2019-01-21
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of Binding Sites on Human Serum Albumin for Somapacitan, a Long-Acting Growth Hormone Derivative.
Biochemistry, 59, 2020
6QJC
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BU of 6qjc by Molmil
Dimethyl disulfide inhibited sulfur oxygenase reductase
Descriptor: FE (III) ION, Sulfur oxygenase/reductase
Authors:Frazao, C, Klezin, A, Poell, U.
Deposit date:2019-01-24
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Multiple sulfane modifications in active-site cysteine thiols of two sulfur oxygenase reductases and analysis of substrate/product channels
To Be Published
6QJV
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BU of 6qjv by Molmil
R2-like ligand-binding oxidase E69D mutant with aerobically reconstituted Mn/Fe cofactor
Descriptor: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2019-01-25
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein.
J.Am.Chem.Soc., 142, 2020
4V6X
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BU of 4v6x by Molmil
Structure of the human 80S ribosome
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Anger, A.M, Armache, J.-P, Berninghausen, O, Habeck, M, Subklewe, M, Wilson, D.N, Beckmann, R.
Deposit date:2013-02-27
Release date:2014-07-09
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structures of the human and Drosophila 80S ribosome.
Nature, 497, 2013
6QLH
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BU of 6qlh by Molmil
Crystal structure of UbiX in complex with reduced FMN and isopentyl monophosphate
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavin prenyltransferase UbiX, Isopentenyl phosphate, ...
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 (1.57 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QLI
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BU of 6qli by Molmil
Crystal structure of F181Q UbiX in complex with FMN and dimethylallyl monophosphate
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, 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 (1.99 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6Q32
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BU of 6q32 by Molmil
The structure of the Mo-insertase domain Cnx1E (variant S269DD274S) from Arabidopsis thaliana in complex with Moco-AMP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Moco-AMP, ...
Authors:Krausze, J.
Deposit date:2018-12-03
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Mechanism of molybdate insertion into pterin-based molybdenum cofactors.
Nat.Chem., 13, 2021
6PTD
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BU of 6ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT H32L
Descriptor: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
Authors:Heinz, D.W.
Deposit date:1997-07-18
Release date:1998-01-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
6QBI
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BU of 6qbi by Molmil
NMR structure of BB_P28, Borrelia burgdorferi outer surface lipoprotein
Descriptor: Surface protein, mlp lipoprotein family
Authors:Fridmanis, J, Otikovs, M, Brangulis, K, Jaudzems, K.
Deposit date:2018-12-21
Release date:2020-01-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution NMR structure of Borrelia burgdorferi outer surface lipoprotein BBP28, a member of the mlp protein family.
Proteins, 2020
6QAM
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BU of 6qam by Molmil
Solution NMR structure of outer membrane protein AlkL
Descriptor: Outer membrane protein AlkL
Authors:Schubeis, T, Andreas, L.B, Pintacuda, G.
Deposit date:2018-12-19
Release date:2020-01-15
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A beta-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL.
Proc.Natl.Acad.Sci.USA, 117, 2020
6QKQ
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BU of 6qkq by Molmil
NMR solution structure of LSR2-T112D binding domain.
Descriptor: Nucleoid-associated protein Lsr2
Authors:Barthe, P, Cohen-Gonsaud, M, Mukamolova, G.V.
Deposit date:2019-01-30
Release date:2019-07-17
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein kinase B controls Mycobacterium tuberculosis growth via phosphorylation of the transcriptional regulator Lsr2 at threonine 112.
Mol.Microbiol., 112, 2019
4UXD
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BU of 4uxd by Molmil
2-keto 3-deoxygluconate aldolase from Picrophilus torridus
Descriptor: 1,2-ETHANEDIOL, 2-DEHYDRO-3-DEOXY-D-GLUCONATE/2-DEHYDRO-3-DEOXY-PHOSPHOGLUCONATE ALDOLASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Priftis, A, Zaitsev, V, Reher, M, Johnsen, U, Danson, M.J, Taylor, G.L, Schoenheit, P, Crennell, S.J.
Deposit date:2014-08-22
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into the Substrate Specificity of Archaeal Entner-Doudoroff Aldolases: The Structures of Picrophilus torridus 2-Keto-3-deoxygluconate Aldolase and Sulfolobus solfataricus 2-Keto-3-deoxy-6-phosphogluconate Aldolase in Complex with 2-Keto-3-deoxy-6-phosphogluconate.
Biochemistry, 57, 2018

223790

数据于2024-08-14公开中

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