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7OI0
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BU of 7oi0 by Molmil
E.coli delta rbfA pre-30S ribosomal subunit class D
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Maksimova, E, Korepanov, A, Baymukhametov, T, Kravchenko, O, Stolboushkina, E.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:RbfA Is Involved in Two Important Stages of 30S Subunit Assembly: Formation of the Central Pseudoknot and Docking of Helix 44 to the Decoding Center.
Int J Mol Sci, 22, 2021
6TFP
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BU of 6tfp by Molmil
BTK in complex with LOU064, a potent and highly selective covalent inhibitor
Descriptor: SODIUM ION, Tyrosine-protein kinase BTK, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide
Authors:Scheufler, C, Hinniger, A, Gutmann, S.
Deposit date:2019-11-14
Release date:2020-03-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 63, 2020
6BTH
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BU of 6bth by Molmil
Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with 2-arachidonoylglycerol (2-AG)
Descriptor: 1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, DI(HYDROXYETHYL)ETHER, Retinol-binding protein 2
Authors:Silvaroli, J.A, Blaner, W.S, Lodowski, D.T, Golczak, M.
Deposit date:2017-12-06
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight.
Sci Adv, 6, 2020
6RMH
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BU of 6rmh by Molmil
The Rigid-body refined model of the normal Huntingtin.
Descriptor: Huntingtin
Authors:Jung, T, Tamo, G, Dal Perraro, M, Hebert, H, Song, J.
Deposit date:2019-05-06
Release date:2020-06-03
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (9.6 Å)
Cite:The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain.
Structure, 28, 2020
4NXG
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BU of 4nxg by Molmil
Crystal structure of iLOV-I486z(2LT) at pH 9.0
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Wang, J, Liu, X, Li, J.
Deposit date:2013-12-09
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
6UE0
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BU of 6ue0 by Molmil
Crystal structure of dihydrodipicolinate synthase from Klebsiella pneumoniae bound to pyruvate
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, SULFATE ION
Authors:Impey, R.E, Lee, M, Hawkins, D.A, Sutton, J.M, Panjikar, S, Perugini, M.A, Soares da Costa, T.P.
Deposit date:2019-09-20
Release date:2020-02-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Mis-annotations of a promising antibiotic target in high-priority gram-negative pathogens.
Febs Lett., 594, 2020
4H2T
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BU of 4h2t by Molmil
Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein and an analogue of glycyl adenylate
Descriptor: 4'-PHOSPHOPANTETHEINE, 5'-O-(glycylsulfamoyl)adenosine, Amino acid--[acyl-carrier-protein] ligase 1, ...
Authors:Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M.
Deposit date:2012-09-13
Release date:2013-03-06
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013
7ZWD
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BU of 7zwd by Molmil
Structure of SNAPc containing Pol II pre-initiation complex bound to U5 snRNA promoter (CC)
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P.
Deposit date:2022-05-19
Release date:2022-11-30
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
7ZX7
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BU of 7zx7 by Molmil
Structure of SNAPc containing Pol II pre-initiation complex bound to U1 snRNA promoter (CC)
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P.
Deposit date:2022-05-20
Release date:2022-11-30
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
7ZXE
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BU of 7zxe by Molmil
Structure of SNAPc containing Pol II pre-initiation complex bound to U1 snRNA promoter (OC)
Descriptor: Non-template strand, TATA-box-binding protein, Template strand, ...
Authors:Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P.
Deposit date:2022-05-20
Release date:2022-11-30
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
3P92
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BU of 3p92 by Molmil
Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17G)
Descriptor: CALCIUM ION, PRSS3 protein, Pancreatic trypsin inhibitor
Authors:Salameh, M.A, Soares, A.S, Radisky, E.S.
Deposit date:2010-10-15
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5992 Å)
Cite:The P2' residue is a key determinant of mesotrypsin specificity: engineering a high-affinity inhibitor with anticancer activity.
Biochem.J., 440, 2011
7TWN
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BU of 7twn by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 5 (P43 crystal form)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWO
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BU of 7two by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 6 (P43 crystal form)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TX4
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BU of 7tx4 by Molmil
Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P21 crystal form)
Descriptor: Papain-like protease nsp3
Authors:Correy, G.J, Fraser, J.S, Kovalevsky, A.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
3P9K
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BU of 3p9k by Molmil
Crystal structure of perennial ryegrass LpOMT1 complexed with S-adenosyl-L-homocysteine and coniferaldehyde
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, Caffeic acid O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Louie, G.V, Noel, J.P, Bowman, M.E.
Deposit date:2010-10-17
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Function Analyses of a Caffeic Acid O-Methyltransferase from Perennial Ryegrass Reveal the Molecular Basis for Substrate Preference.
Plant Cell, 22, 2010
6ANR
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BU of 6anr by Molmil
Crystal structure of a self resistance protein ClbS from colibactin biosynthetic gene cluster
Descriptor: Colibactin self-protection protein ClbS
Authors:Tripathi, P, Bruner, S.D.
Deposit date:2017-08-14
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:ClbS Is a Cyclopropane Hydrolase That Confers Colibactin Resistance.
J. Am. Chem. Soc., 139, 2017
4RM3
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BU of 4rm3 by Molmil
Crystal structure of a benzoate coenzyme A ligase with 2-Furoic acid
Descriptor: 2-FUROIC ACID, Benzoate-coenzyme A ligase
Authors:Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
Deposit date:2014-10-18
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
4H2W
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BU of 4h2w by Molmil
Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and AMP
Descriptor: 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, Amino acid--[acyl-carrier-protein] ligase 1, ...
Authors:Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M.
Deposit date:2012-09-13
Release date:2013-03-06
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013
3MB5
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BU of 3mb5 by Molmil
Crystal structure of P. abyssi tRNA m1A58 methyltransferase in complex with S-adenosyl-L-methionine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, S-ADENOSYLMETHIONINE, ...
Authors:Guelorget, A, Golinelli-Pimpaneau, B.
Deposit date:2010-03-25
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into the hyperthermostability and unusual region-specificity of archaeal Pyrococcus abyssi tRNA m1A57/58 methyltransferase.
Nucleic Acids Res., 38, 2010
6AVO
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BU of 6avo by Molmil
Cryo-EM structure of human immunoproteasome with a novel noncompetitive inhibitor that selectively inhibits activated lymphocytes
Descriptor: N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Li, H, Santos, R, Bai, L.
Deposit date:2017-09-04
Release date:2017-12-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of human immunoproteasome with a reversible and noncompetitive inhibitor that selectively inhibits activated lymphocytes.
Nat Commun, 8, 2017
8U6R
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BU of 8u6r by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N-(2,2-difluoroethyl)propanamide (JLJ756), a non-nucleoside inhibitor
Descriptor: 3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
Authors:Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-09-13
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
4RM2
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BU of 4rm2 by Molmil
Crystal structure of a benzoate coenzyme A ligase with 2-Fluoro benzoic acid
Descriptor: 2-fluorobenzoic acid, Benzoate-coenzyme A ligase
Authors:Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
Deposit date:2014-10-18
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
8TJ8
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BU of 8tj8 by Molmil
CRYSTAL STRUCTURE OF THE A/Moscow/10/1999(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ4
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BU of 8tj4 by Molmil
CRYSTAL STRUCTURE OF THE A/Bangkok/1/1979(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
4H2U
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BU of 4h2u by Molmil
Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein and ATP
Descriptor: 4'-PHOSPHOPANTETHEINE, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M.
Deposit date:2012-09-13
Release date:2013-03-06
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013

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數據於2024-07-17公開中

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