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4YC6
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BU of 4yc6 by Molmil
CDK1/CKS1
Descriptor: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 1
Authors:Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
Deposit date:2015-02-19
Release date:2015-05-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
5L8Y
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BU of 5l8y by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937
Descriptor: 2-[(4-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-N-(2-hydroxyethyl)acetamide, FORMIC ACID, GLYCEROL, ...
Authors:Singh, A.K, Anthonyrajah, E.S, Brown, D.G.
Deposit date:2016-06-08
Release date:2018-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
6WAI
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BU of 6wai by Molmil
Crystal Structure of SmcR N142D from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION
Authors:Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C.
Deposit date:2020-03-25
Release date:2020-06-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.583 Å)
Cite:The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
5KM1
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BU of 5km1 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) GMP catalytic product complex
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5L97
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BU of 5l97 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 3
Descriptor: 2-methyl-~{N}-[(2~{S})-2-methylsulfonylcyclopentyl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Lolli, G, Marchand, J.-R, Caflisch, A.
Deposit date:2016-06-09
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
4YDD
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BU of 4ydd by Molmil
Crystal structure of the perchlorate reductase PcrAB from Azospira suillum PS
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Tsai, C.-L, Youngblut, M.D, Tainer, J.A.
Deposit date:2015-02-21
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
J.Biol.Chem., 291, 2016
6WBJ
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BU of 6wbj by Molmil
High resolution crystal structure of mRECK(CC4) in fusion with engineered MBP
Descriptor: GLYCEROL, Maltodextrin-binding protein,Reversion-inducing cysteine-rich protein with Kazal motifs fusion, SULFATE ION, ...
Authors:Chang, T.H, Hsieh, F.L, Gabelli, S.B, Nathans, J.
Deposit date:2020-03-26
Release date:2020-06-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Structure of the RECK CC domain, an evolutionary anomaly.
Proc.Natl.Acad.Sci.USA, 117, 2020
8FUA
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BU of 8fua by Molmil
Crystal structure of mouse Importin alpha in complex with Hendra virus matrix protein NLS1
Descriptor: Importin subunit alpha-1, Matrix protein
Authors:Donnelly, C.M, Basler, C.F, Scott, C, Forwood, J.K.
Deposit date:2023-01-17
Release date:2023-02-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Henipavirus Matrix Protein Employs a Non-Classical Nuclear Localization Signal Binding Mechanism.
Viruses, 15, 2023
5KMA
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BU of 5kma by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside D-Trp phosphoramidate substrate complex
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
8F94
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BU of 8f94 by Molmil
Structure of an alternating AT 16-mer: 5'-GCTGGATATATCCAGC-3
Descriptor: CALCIUM ION, DNA 16-mer
Authors:Terrell, J.R, Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-23
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
6VJE
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BU of 6vje by Molmil
Crystal structure of Pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) complexed with ceftobiprole
Descriptor: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F, Kumar, V.
Deposit date:2020-01-15
Release date:2020-03-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Insights into Ceftobiprole Inhibition of Pseudomonas aeruginosa Penicillin-Binding Protein 3.
Antimicrob.Agents Chemother., 64, 2020
5LAF
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BU of 5laf by Molmil
Room temperature X-ray diffraction of tetragonal HEWL with 1M of uridine. First data set (0.31 MGy)
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C
Authors:Castellvi, A, Juanhuix, J.
Deposit date:2016-06-14
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Uridine as a new scavenger for synchrotron-based structural biology techniques.
J Synchrotron Radiat, 24, 2017
8FB3
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BU of 8fb3 by Molmil
PreQ1-1 (type-1) riboswitch with stacked metabolites and a C10-G34 base pair in the expression platform
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, MAGNESIUM ION, RNA (34-MER) Riboswitch
Authors:Wedekind, J.E, Schroeder, G.M, Jenkins, J.L.
Deposit date:2022-11-29
Release date:2023-02-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:A riboswitch separated from its ribosome-binding site still regulates translation.
Nucleic Acids Res., 51, 2023
6VKC
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BU of 6vkc by Molmil
Crystal Structure of Inhibitor JNJ-36811054 in Complex with Prefusion RSV F Glycoprotein
Descriptor: 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one, CHLORIDE ION, D(-)-TARTARIC ACID, ...
Authors:McLellan, J.S.
Deposit date:2020-01-20
Release date:2020-05-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.
J.Med.Chem., 63, 2020
8I4J
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BU of 8i4j by Molmil
Structure of wild-type Azami Green from Galaxea fascicularis
Descriptor: Azami-Green
Authors:Otsubo, S, Takekawa, N, Imamura, H, Imada, K.
Deposit date:2023-01-19
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Red fluorescent proteins engineered from green fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
4YOO
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BU of 4yoo by Molmil
p107 pocket domain in complex with LIN52 P29A peptide
Descriptor: LIN52 peptide, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, SULFATE ION
Authors:Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M.
Deposit date:2015-03-12
Release date:2015-05-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanisms of DREAM complex assembly and regulation.
Genes Dev., 29, 2015
4YP0
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BU of 4yp0 by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-aminoisoquinoline (Chem 79)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-12
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5KM3
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BU of 5km3 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) UMP catalytic product complex
Descriptor: GLYCEROL, Histidine triad nucleotide-binding protein 1, URIDINE-5'-MONOPHOSPHATE
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
6W0C
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BU of 6w0c by Molmil
Open-gate KcsA soaked in 4 mM BaCl2
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.556 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
8IIY
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BU of 8iiy by Molmil
Crystal structure of MBP fused GAS41 YEATS domain in complex with H3K14ac peptide
Descriptor: GLYCEROL, Histone H3.1, Maltodextrin-binding protein,YEATS domain-containing protein 4, ...
Authors:Kikuchi, M, Umehara, T.
Deposit date:2023-02-24
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:GAS41 promotes H2A.Z deposition through recognition of the N terminus of histone H3 by the YEATS domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
6VMY
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BU of 6vmy by Molmil
Structure of the B. subtilis cobalamin riboswitch
Descriptor: Adenosylcobalamin, B. subtilis cobalamin riboswitch, COBALT HEXAMMINE(III), ...
Authors:Chan, C.W, Mondragon, A.
Deposit date:2020-01-28
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal structure of an atypical cobalamin riboswitch reveals RNA structural adaptability as basis for promiscuous ligand binding.
Nucleic Acids Res., 48, 2020
6W0L
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BU of 6w0l by Molmil
Henipavirus W protein interacts with 14-3-3 to modulate host gene expression
Descriptor: 14-3-3 protein sigma, CALCIUM ION, Phosphorylated W peptide
Authors:Edwards, M, Hoad, M, Tsimbalyuk, S, Menicucci, A, Messaoudi, I, Forwood, J, Basler, C.
Deposit date:2020-03-01
Release date:2020-04-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Henipavirus W Proteins Interact with 14-3-3 To Modulate Host Gene Expression.
J.Virol., 94, 2020
5KOR
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BU of 5kor by Molmil
Arabidopsis thaliana fucosyltransferase 1 (FUT1) in complex with GDP and a xylo-oligossacharide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Rocha, J, de Sanctis, D, Breton, C.
Deposit date:2016-07-01
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Arabidopsis thaliana FUT1 Reveals a Variant of the GT-B Class Fold and Provides Insight into Xyloglucan Fucosylation.
Plant Cell, 28, 2016
4YRE
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BU of 4yre by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (2-bromophenyl)methanol (Chem 145)
Descriptor: (2-bromophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
6W0S
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BU of 6w0s by Molmil
Crystal structure of substrate free cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053
Descriptor: BROMIDE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
Deposit date:2020-03-02
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020

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数据于2024-10-30公开中

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