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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:2024-11-06
Method:X-RAY DIFFRACTION (4.49 Å)
Cite:Structure of an agonist-bound ionotropic glutamate receptor.
Science, 345, 2014
4U4Q
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BU of 4u4q by Molmil
Crystal structure of Homoharringtonine bound to the yeast 80S ribosome
Descriptor: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 18S ribosomal RNA, 25S ribosomal RNA, ...
Authors:Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M.
Deposit date:2014-07-24
Release date:2014-10-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
4U64
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BU of 4u64 by Molmil
Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in the apo state
Descriptor: Two component histidine kinase, GGDEF domain protein/EAL domain protein
Authors:Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S.
Deposit date:2014-07-27
Release date:2014-08-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP.
Elife, 3, 2014
4U66
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BU of 4u66 by Molmil
Induced Dimer Structure of Methionine Sulfoxide Reductase U16C from Clostridium Oremlandii
Descriptor: Peptide methionine sulfoxide reductase MsrA, SULFATE ION
Authors:Hwang, K.Y, Lee, E.H.
Deposit date:2014-07-28
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Evidence for the Dimerization-Mediated Catalysis of Methionine Sulfoxide Reductase A from Clostridium oremlandii
Plos One, 10, 2015
4U69
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BU of 4u69 by Molmil
HsMetAP complex with (1-amino-2-methylpentyl)phosphonic acid
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-28
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6D
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BU of 4u6d by Molmil
Zg3615, a family 117 glycoside hydrolase in complex with beta-3,6-anhydro-L-galactose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-beta-L-galactopyranose, CALCIUM ION, ...
Authors:Ficko-Blean, E.
Deposit date:2014-07-28
Release date:2015-02-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and structural investigation of two paralogous glycoside hydrolases from Zobellia galactanivorans: novel insights into the evolution, dimerization plasticity and catalytic mechanism of the GH117 family.
Acta Crystallogr.,Sect.D, 71, 2015
4U6I
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BU of 4u6i by Molmil
Crystal Structure of the EutL Microcompartment Shell Protein from Clostridium Perfringens Bound to Vitamin B12
Descriptor: COBALAMIN, Ethanolamine utilization protein EutL, SODIUM ION
Authors:Thompson, M.C, Crowley, C.S, Kopstein, J.S, Yeates, T.O.
Deposit date:2014-07-29
Release date:2014-10-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a bacterial microcompartment shell protein bound to a cobalamin cofactor.
Acta Crystallogr.,Sect.F, 70, 2014
6YDZ
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BU of 6ydz by Molmil
Human wtSTING in complex with 3',3'-cGAMP
Descriptor: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-03-23
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
4U6N
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BU of 4u6n by Molmil
Crystal structure of Escherichia coli DiaA
Descriptor: CHLORIDE ION, DnaA initiator-associating protein DiaA
Authors:Oakley, A.J, Lo, T.
Deposit date:2014-07-29
Release date:2014-08-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of Escherichia coli DiaA
To Be Published
4U6T
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BU of 4u6t by Molmil
Crystal structure of the Clostridium histolyticum colH collagenase polycystic kidney disease-like domain 2a at 1.76 Angstrom resolution
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ColH protein
Authors:Bauer, R, Janowska, K, Sakon, J, Matsushita, O, Latimer, E.
Deposit date:2014-07-29
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Acta Crystallogr.,Sect.D, 71, 2015
4U70
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BU of 4u70 by Molmil
HsMetAP (F309M) in complex with (1-amino-2-cyclohexylethyl)phosphonic acid
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U76
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BU of 4u76 by Molmil
HsMetAP (F309M) holo form
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U7D
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BU of 4u7d by Molmil
Structure of human RECQ-like helicase in complex with an oligonucleotide
Descriptor: ATP-dependent DNA helicase Q1, DNA oligonucleotide, ZINC ION
Authors:Pike, A.C.W, Zhang, Y, Schnecke, C, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2014-07-30
Release date:2015-01-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: Insights from DNA complex structures.
Proc.Natl.Acad.Sci.USA, 112, 2015
4U61
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BU of 4u61 by Molmil
Trichodysplasia spinulosa-associated polyomavirus (TSPyV) VP1 in complex with 6'-sialyllactose
Descriptor: GLYCEROL, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-07-26
Release date:2015-08-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Trichodysplasia spinulosa-Associated Polyomavirus Uses a Displaced Binding Site on VP1 to Engage Sialylated Glycolipids.
Plos Pathog., 11, 2015
6YEA
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BU of 6yea by Molmil
Human wtSTING in complex with 2',2'-difluoro-3',3'-cGAMP
Descriptor: 2',2'-difluoro-3',3'-cGAMP, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-03-24
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
4U6J
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BU of 4u6j by Molmil
HsMetAP in complex with methionine
Descriptor: COBALT (II) ION, GLYCEROL, METHIONINE, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-29
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6S
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BU of 4u6s by Molmil
CtBP1 in complex with substrate phenylpyruvate
Descriptor: 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ...
Authors:Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
Deposit date:2014-07-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
4U8M
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BU of 4u8m by Molmil
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A
Descriptor: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Qureshi, I.A, Chaudhary, R, Tanner, J.J.
Deposit date:2014-08-03
Release date:2014-12-03
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
4U8W
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BU of 4u8w by Molmil
HIV-1 wild Type protease with GRL-050-10A (a Gem-difluoro-bis-Tetrahydrofuran as P2-Ligand)
Descriptor: (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2014-08-05
Release date:2014-11-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design of gem-Difluoro-bis-Tetrahydrofuran as P2 Ligand for HIV-1 Protease Inhibitors to Improve Brain Penetration: Synthesis, X-ray Studies, and Biological Evaluation.
Chemmedchem, 10, 2015
4U93
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BU of 4u93 by Molmil
Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990
Descriptor: (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one, Heat shock protein HSP 90-alpha
Authors:Bellamacina, C.R, Shafer, C.M, Bussiere, D.
Deposit date:2014-08-05
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990.
J.Med.Chem., 57, 2014
4U99
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BU of 4u99 by Molmil
Crystal structure of an H-NOX protein from S. oneidensis in the Fe(II) ligation state, Q154A/Q155A/K156A mutant
Descriptor: NO-binding heme-dependent sensor protein, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A.
Deposit date:2014-08-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4U6Y
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BU of 4u6y by Molmil
Crystal Structure of HLA-A*0201 in complex with FLNDK, a 15 mer self-peptide
Descriptor: Beta-2-microglobulin, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gras, S, Chabrol, E, Rossjohn, J.
Deposit date:2014-07-30
Release date:2014-12-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.467 Å)
Cite:Naturally Processed Non-canonical HLA-A*02:01 Presented Peptides.
J.Biol.Chem., 290, 2015
4U9L
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BU of 4u9l by Molmil
Structure of a membrane protein
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MAGNESIUM ION, Magnesium transporter MgtE
Authors:Takeda, H, Hattori, M, Nishizawa, T, Yamashita, K, Shah, S.T.A, Caffrey, M, Maturana, A.D, Ishitani, R, Nureki, O.
Deposit date:2014-08-06
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for ion selectivity revealed by high-resolution crystal structure of Mg(2+) channel MgtE
Nat Commun, 5, 2014
4U9N
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BU of 4u9n by Molmil
Structure of a membrane protein
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MANGANESE (II) ION, Magnesium transporter MgtE, ...
Authors:Takeda, H, Hattori, M, Nishizawa, T, Yamashita, K, Shah, S.T.A, Caffrey, M, Maturana, A.D, Ishitani, R, Nureki, O.
Deposit date:2014-08-06
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for ion selectivity revealed by high-resolution crystal structure of Mg(2+) channel MgtE
Nat Commun, 5, 2014
4U77
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BU of 4u77 by Molmil
BTB domain from Drosophila CP190
Descriptor: Centrosome-associated zinc finger protein CP190, DIMETHYL SULFOXIDE, GLYCEROL
Authors:Allemand, F, Cohen-Gonsaud, M, Labesse, G, Nollmann, M.
Deposit date:2014-07-30
Release date:2014-08-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Chromatin Insulator Factors Involved in Long-Range DNA Interactions and Their Role in the Folding of the Drosophila Genome.
Plos Genet., 10, 2014

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数据于2025-07-09公开中

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