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5IUK
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BU of 5iuk by Molmil
Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM)
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A.
Deposit date:2016-03-18
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action.
Elife, 5, 2016
6P6B
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BU of 6p6b by Molmil
CS-Rosetta Model of PEA-15 Death Effector Domain
Descriptor: Astrocytic phosphoprotein PEA-15
Authors:Wei, Y, Crespo Flores, S, Cabezas, A, Hassan, S.
Deposit date:2019-06-03
Release date:2019-07-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PEA-15 C-Terminal Tail Allosterically Modulates Death-Effector Domain Conformation and Facilitates Protein-Protein Interactions.
Int J Mol Sci, 20, 2019
6P1J
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BU of 6p1j by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo2 serine module
Descriptor: ACETATE ION, CHLORIDE ION, CITRATE ANION, ...
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-20
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
6P6U
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BU of 6p6u by Molmil
Crystal Structure of Monoclinic Rabbit Muscle Lactate Dehydrogenase with Four Tetramers as the Asymmetric Unit
Descriptor: ADENOSINE MONOPHOSPHATE, L-lactate dehydrogenase A chain
Authors:McPherson, A.
Deposit date:2019-06-04
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal Structure of Monoclinic Rabbit Muscle Lactate Dehydrogenase with Four Tetramers as the Asymmetric Unit
to be published
6P2K
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BU of 6p2k by Molmil
Crystal structure of AFV00434, an ancestral GH74 enzyme
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A.
Deposit date:2019-05-21
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
6P57
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BU of 6p57 by Molmil
Crystal Structure of the Beta Subunit of Luteinizing Hormone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Lutropin subunit beta, alpha-D-mannopyranose, ...
Authors:McPherson, A.
Deposit date:2019-05-29
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:The Crystal Structure of the Beta Subunit of Luteinizing Hormone and a Model for the Intact Hormone
Curr Res Struct Biol, 2019
5J4T
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BU of 5j4t by Molmil
Structure of tetrameric jacalin complexed with GlcNAc beta-(1,3) Gal-beta-OMe
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-methyl beta-D-galactopyranoside, Agglutinin alpha chain, ...
Authors:Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M.
Deposit date:2016-04-01
Release date:2017-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Distortion of the ligand molecule as a strategy for modulating binding affinity: Further studies involving complexes of jacalin with beta-substituted disaccharides.
IUBMB Life, 69, 2017
6VU4
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BU of 6vu4 by Molmil
Structure of a beta-hairpin peptide mimic derived from Abeta 14-36
Descriptor: Beta-hairpin Amyloid-beta precursor peptide mimic, CHLORIDE ION, IODIDE ION
Authors:Wierzbicki, M, Kreutzer, A, Samdin, T, Nowick, J.S.
Deposit date:2020-02-14
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.077 Å)
Cite:Effects of N-Terminal Residues on the Assembly of Constrained beta-Hairpin Peptides Derived from A beta.
J.Am.Chem.Soc., 142, 2020
6PAE
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BU of 6pae by Molmil
Dickeya chrysanthemi complex with L-Asp at pH 5.6
Descriptor: 1,2-ETHANEDIOL, ASPARTIC ACID, GLYCEROL, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
5JFE
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BU of 5jfe by Molmil
Flavin-dependent thymidylate synthase with H2-dUMP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-uridylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Sapra, A, Stuckey, J, Palfey, B.
Deposit date:2016-04-19
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Evaluating H2-dUMP as an Intermediate in the oxidation of Flavin-dependent Thymidylate Synthase
To Be Published
6PE0
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BU of 6pe0 by Molmil
Msp1 (E214Q)-substrate complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Membrane-spanning ATPase-like protein, ...
Authors:Wang, L, Myasnikov, A, Pan, X, Walter, P.
Deposit date:2019-06-19
Release date:2020-02-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the AAA protein Msp1 reveals mechanism of mislocalized membrane protein extraction.
Elife, 9, 2020
6P6C
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BU of 6p6c by Molmil
CS-Rosetta Model of PEA-15 Death Effector Domain in the Complex with ERK2
Descriptor: Astrocytic phosphoprotein PEA-15
Authors:Wei, Y, Crespo Flores, S, Cabezas, A, Hassan, S.
Deposit date:2019-06-03
Release date:2019-07-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PEA-15 C-Terminal Tail Allosterically Modulates Death-Effector Domain Conformation and Facilitates Protein-Protein Interactions.
Int J Mol Sci, 20, 2019
5JJW
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BU of 5jjw by Molmil
Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain
Descriptor: 1,2-ETHANEDIOL, Squamous cell carcinoma antigen recognized by T-cells 3, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2016-04-25
Release date:2016-05-04
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain
to be published
6PJI
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BU of 6pji by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR3-43
Descriptor: Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-06-28
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6PKY
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BU of 6pky by Molmil
Guinea pig N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
Authors:Gorelik, A, Illes, K, Nagar, B.
Deposit date:2019-06-30
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
5IWN
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BU of 5iwn by Molmil
Bacterial sodium channel pore domain, high bromide
Descriptor: BROMIDE ION, Ion transport protein
Authors:Shaya, D, Findeisen, F, Rohaim, A, Minor, D.L.
Deposit date:2016-03-22
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation.
Cell, 164, 2016
6P3E
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BU of 6p3e by Molmil
Mobile loops and electrostatic interactions maintain the flexible lambda tail tube
Descriptor: Tail tube protein
Authors:Campbell, P, Duda, R.L, Nassur, J, Hendrix, R.W, Conway, J.F, Huet, A.
Deposit date:2019-05-23
Release date:2019-11-27
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Mobile Loops and Electrostatic Interactions Maintain the Flexible Tail Tube of Bacteriophage Lambda.
J.Mol.Biol., 432, 2020
6P53
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BU of 6p53 by Molmil
Crystal structure of the transpeptidase domain of PBP2 from Neisseria gonorrhoeae in apo form
Descriptor: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
5IU4
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BU of 5iu4 by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with ZM241385 at 1.7A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IUF
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BU of 5iuf by Molmil
Bacillus NanoRNase A active site mutant bound to pAp
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Bifunctional oligoribonuclease and PAP phosphatase NrnA
Authors:Schmier, B.J, Nelersa, C.M, Malhotra, A.
Deposit date:2016-03-17
Release date:2017-08-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for the Bidirectional Activity of Bacillus nanoRNase NrnA.
Sci Rep, 7, 2017
5IYE
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BU of 5iye by Molmil
Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 resolution
Descriptor: DNA (5'-D(*CP*CP*CP*GP*GP*GP*TP*AP*CP*CP*CP*GP*GP*G)-3'), ZINC ION
Authors:Karthik, S, Thirugnanasambandam, A, Mandal, P.K, Gautham, N.
Deposit date:2016-03-24
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 angstrom resolution.
Nucleosides Nucleotides Nucleic Acids, 36, 2017
5IYG
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BU of 5iyg by Molmil
Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 resolution
Descriptor: DNA (5'-D(*CP*CP*CP*GP*GP*GP*TP*AP*CP*CP*CP*GP*GP*G)-3')
Authors:Karthik, S, Thirugnanasambandam, A, Mandal, P.K, Gautham, N.
Deposit date:2016-03-24
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 angstrom resolution.
Nucleosides Nucleotides Nucleic Acids, 36, 2017
5IYJ
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BU of 5iyj by Molmil
Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 resolution
Descriptor: DNA (5'-D(*CP*CP*CP*GP*GP*GP*TP*AP*CP*CP*CP*GP*GP*G)-3')
Authors:Karthik, S, Thirugnanasambandam, A, Mandal, P.K, Gautham, N.
Deposit date:2016-03-24
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 angstrom resolution.
Nucleosides Nucleotides Nucleic Acids, 36, 2017
6PAC
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BU of 6pac by Molmil
E. coli L-asparaginase II in complex with L-Asp at pH 5.6
Descriptor: ASPARTIC ACID, IMIDAZOLE, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
6PBF
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BU of 6pbf by Molmil
ZINC9155420-bound TRPV5 in nanodiscs
Descriptor: (1S)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2S)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetate, Transient receptor potential cation channel subfamily V member 5
Authors:Hughes, T.E.T, Rosario, J.S.D, Kapoor, A, Yazici, A.T, Fluck, E.C, Filizola, M, Rohacs, T, Moiseenkova-Bell, V.Y.
Deposit date:2019-06-13
Release date:2019-11-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure-based characterization of novel TRPV5 inhibitors.
Elife, 8, 2019

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