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5IDK
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BU of 5idk by Molmil
Crystal structure of West Nile Virus NS2B-NS3 protease in complex with a capped dipeptide boronate inhibitor
Descriptor: ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol, DIMETHYL SULFOXIDE, ...
Authors:Hilgenfeld, R, Zhang, L.
Deposit date:2016-02-24
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peptide-Boronic Acid Inhibitors of Flaviviral Proteases: Medicinal Chemistry and Structural Biology.
J. Med. Chem., 60, 2017
5AWK
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BU of 5awk by Molmil
Crystal structure of VDR-LBD/partial agonist complex: 22S-ethyl analogue
Descriptor: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor,Vitamin D3 receptor
Authors:Anami, Y, Itoh, T, Yamamoto, K.
Deposit date:2015-07-04
Release date:2015-11-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity.
Bioorg.Med.Chem., 23, 2015
5AWJ
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BU of 5awj by Molmil
Crystal structure of VDR-LBD/partial agonist complex: 22S-hexyl analogue
Descriptor: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor,Vitamin D3 receptor
Authors:Anami, Y, Itoh, T, Inaba, Y, Nakabayashi, M, Ikura, T, Ito, N, Yamamoto, K.
Deposit date:2015-07-04
Release date:2015-11-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity.
Bioorg.Med.Chem., 23, 2015
5QJ0
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BU of 5qj0 by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
Descriptor: 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
5UDC
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BU of 5udc by Molmil
Crystal Structure of RSV F A2 Bound to MEDI8897
Descriptor: CHLORIDE ION, Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
4OOT
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BU of 4oot by Molmil
X-ray structure of the protein-gold adduct formed upon reaction of Aubipic with hen egg white lysozyme
Descriptor: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
Authors:Merlino, A.
Deposit date:2014-02-04
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein Recognition of Gold-Based Drugs: 3D Structure of the Complex Formed When Lysozyme Reacts with Aubipy(c.).
ACS Med Chem Lett, 5, 2014
3WEU
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BU of 3weu by Molmil
Crystal structure of the L-Lys epsilon-oxidase from Marinomonas mediterranea
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, L-lysine 6-oxidase, ...
Authors:Okazaki, S, Nakano, S, Matsui, D, Akaji, S, Inagaki, K, Asano, Y.
Deposit date:2013-07-12
Release date:2013-09-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-Ray crystallographic evidence for the presence of the cysteine tryptophylquinone cofactor in L-lysine {varepsilon}-oxidase from Marinomonas mediterranea
J.Biochem., 154, 2013
4BV6
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BU of 4bv6 by Molmil
Refined crystal structure of the human Apoptosis inducing factor
Descriptor: APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M.
Deposit date:2013-06-25
Release date:2014-09-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor.
Biochemistry, 53, 2014
4BUR
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BU of 4bur by Molmil
Crystal structure of the reduced human Apoptosis inducing factor complexed with NAD
Descriptor: APOPTOSIS INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M.
Deposit date:2013-06-23
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor.
Biochemistry, 53, 2014
5UDD
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BU of 5udd by Molmil
Crystal Structure of RSV F B9320 Bound to MEDI8897
Descriptor: Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, MEDI8897 Fab Light Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
8CEO
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BU of 8ceo by Molmil
Yeast RNA polymerase II transcription pre-initiation complex with core Mediator and the +1 nucleosome
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Wang, H, Cramer, P.
Deposit date:2023-02-02
Release date:2023-03-08
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Yeast PIC-Mediator structure with RNA polymerase II C-terminal domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
6NIB
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BU of 6nib by Molmil
Crystal Structure of Medicago truncatula Agmatine Iminohydrolase (Deiminase)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Porphyromonas-type peptidyl-arginine deiminase, ...
Authors:Sekula, B, Dauter, Z.
Deposit date:2018-12-27
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Study of Agmatine Iminohydrolase FromMedicago truncatula, the Second Enzyme of the Agmatine Route of Putrescine Biosynthesis in Plants.
Front Plant Sci, 10, 2019
6NIC
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BU of 6nic by Molmil
Crystal Structure of Medicago truncatula Agmatine Iminohydrolase (Deiminase) in Complex with 6-aminohexanamide
Descriptor: 1,2-ETHANEDIOL, 6-aminohexanamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Sekula, B, Dauter, Z.
Deposit date:2018-12-27
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Study of Agmatine Iminohydrolase FromMedicago truncatula, the Second Enzyme of the Agmatine Route of Putrescine Biosynthesis in Plants.
Front Plant Sci, 10, 2019
6AHO
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BU of 6aho by Molmil
Crystal structure of Kap114p
Descriptor: Importin subunit beta-5
Authors:Liao, C.C, Shankar, S, Ahmed, G.R, Hsia, K.C.
Deposit date:2018-08-20
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Karyopherin Kap114p-mediated trans-repression controls ribosomal gene expression under saline stress.
Embo Rep., 21, 2020
5DB5
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BU of 5db5 by Molmil
Crystal structure of PLP-bound E. coli SufS (cysteine persulfide intermediate) in space group P21
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, CYSTEINE, ...
Authors:Arbing, M.A, Shin, A, Koo, C.W, Medrano-Soto, A, Eisenberg, D.
Deposit date:2015-08-20
Release date:2016-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of PLP-bound E. coli SufS (cysteine persulfide intermediate) in space group P21
To Be Published
5H8I
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BU of 5h8i by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) in complex with N-(dihydroxymethyl)putrescine
Descriptor: (4-azanylbutylamino)methanediol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
Deposit date:2015-12-23
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
5H8L
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BU of 5h8l by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant in complex with putrescine
Descriptor: 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, DI(HYDROXYETHYL)ETHER, ...
Authors:Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
Deposit date:2015-12-23
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
5H8J
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BU of 5h8j by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) in complex with cadaverine
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
Deposit date:2015-12-23
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
2LJX
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BU of 2ljx by Molmil
Structure of the monomeric N-terminal domain of HPV16 E6 oncoprotein
Descriptor: Protein E6, ZINC ION
Authors:Zanier, K, Muhamed Sidi, A, Boulade-Ladame, C, Rybin, V, Chappelle, A, Atkinson, A, Kieffer, B, Trave, G.
Deposit date:2011-09-30
Release date:2012-04-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure Analysis of the HPV16 E6 Oncoprotein Reveals a Self-Association Mechanism Required for E6-Mediated Degradation of p53.
Structure, 20, 2012
2LJZ
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BU of 2ljz by Molmil
Structure of the C-terminal domain of HPV16 E6 oncoprotein
Descriptor: Protein E6, ZINC ION
Authors:Zanier, K, Muhamed Sidi, A, Boulade-Ladame, C, Rybin, V, Chappelle, A, Atkinson, A, Kieffer, B, Trave, G.
Deposit date:2011-09-30
Release date:2012-04-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure Analysis of the HPV16 E6 Oncoprotein Reveals a Self-Association Mechanism Required for E6-Mediated Degradation of p53.
Structure, 20, 2012
5H8K
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BU of 5h8k by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
Deposit date:2015-12-23
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
2LJY
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BU of 2ljy by Molmil
Haddock model structure of the N-terminal domain dimer of HPV16 E6
Descriptor: Protein E6, ZINC ION
Authors:Zanier, K, Muhamed Sidi, A, Boulade-Ladame, C, Rybin, V, Chappelle, A, Atkinson, A, Kieffer, B, Trave, G.
Deposit date:2011-09-30
Release date:2012-04-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure Analysis of the HPV16 E6 Oncoprotein Reveals a Self-Association Mechanism Required for E6-Mediated Degradation of p53.
Structure, 20, 2012
4BIK
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BU of 4bik by Molmil
Structure of a disulfide locked mutant of Intermedilysin with human CD59
Descriptor: CD59 GLYCOPROTEIN, INTERMEDILYSIN
Authors:Johnson, S, Brooks, N.J, Smith, R.A.G, Lea, S.M, Bubeck, D.
Deposit date:2013-04-10
Release date:2013-05-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.494 Å)
Cite:Structural Basis for Recognition of the Pore- Forming Toxin Intermedilysin by Human Complement Receptor Cd59
Cell Rep., 3, 2013
5OQM
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BU of 5oqm by Molmil
STRUCTURE OF YEAST TRANSCRIPTION PRE-INITIATION COMPLEX WITH TFIIH AND CORE MEDIATOR
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Schilbach, S, Hantsche, M, Tegunov, D, Dienemann, C, Wigge, C, Urlaub, H, Cramer, P.
Deposit date:2017-08-13
Release date:2018-05-09
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structures of transcription pre-initiation complex with TFIIH and Mediator.
Nature, 551, 2017
5WX8
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BU of 5wx8 by Molmil
Human herpesvirus 6A immediate early protein 2 C-terminal domain
Descriptor: Immediate-early protein 2
Authors:Nishimura, M, Wang, J, Wakata, A, Sakamoto, K, Mori, Y.
Deposit date:2017-01-06
Release date:2017-08-02
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the DNA-Binding Domain of Human Herpesvirus 6A Immediate Early Protein 2.
J. Virol., 91, 2017

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数据于2024-06-19公开中

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