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6BHT
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BU of 6bht by Molmil
HIV-1 CA hexamer in complex with IP6, orthorhombic crystal form
Descriptor: Capsid protein p24, INOSITOL HEXAKISPHOSPHATE
Authors:Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O.
Deposit date:2017-10-31
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.689 Å)
Cite:Inositol phosphates are assembly co-factors for HIV-1.
Nature, 560, 2018
5CL4
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BU of 5cl4 by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog or DNA containing an abasic site and a free nucleobase (71% substrate/29% product at 24 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(DZM)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.866 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
4RU4
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BU of 4ru4 by Molmil
Crystal structure of the tailspike protein gp49 from Pseudomonas phage LKA1
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
Authors:Browning, C, Shneider, M.M, Leiman, P.G.
Deposit date:2014-11-18
Release date:2015-11-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:The O-specific polysaccharide lyase from the phage LKA1 tailspike reduces Pseudomonas virulence.
Sci Rep, 7, 2017
6G8N
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BU of 6g8n by Molmil
Yeast 20S proteasome in complex with Cystargolide B Derivative 2
Descriptor: (2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Groll, M, Tello-Aburto, R.
Deposit date:2018-04-09
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design, synthesis, and evaluation of cystargolide-based beta-lactones as potent proteasome inhibitors.
Eur J Med Chem, 157, 2018
6PWP
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BU of 6pwp by Molmil
MscS Nanodisc
Descriptor: Small-conductance mechanosensitive channel
Authors:Reddy, B.G, Perozo, E.
Deposit date:2019-07-23
Release date:2020-01-08
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Molecular basis of force-from-lipids gating in the mechanosensitive channel MscS.
Elife, 8, 2019
8J5V
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BU of 8j5v by Molmil
Crystal structure of estZF172 as a novel biocatalyst for the efficient biosynthesis of a chiral intermediate of pregabalin
Descriptor: Carboxylesterase
Authors:Chi, C.B, Liang, Z.D, Huo, B.Q, Hu, C.X, Sun, Q.Y.
Deposit date:2023-04-24
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of estZF172 as a novel biocatalyst for the efficient biosynthesis of a chiral intermediate of pregabalin
To Be Published
5ETW
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BU of 5etw by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue
Descriptor: (1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wu, S.Y, Peng, Y.H, Wu, J.S.
Deposit date:2015-11-18
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1.
J.Med.Chem., 59, 2016
7LUC
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BU of 7luc by Molmil
Cryo-EM structure of RSV preF bound by Fabs 32.4K and 01.4B
Descriptor: 01.4B Fab Heavy chain, 01.4B Fab Light chain, 32.4K Fab Heavy chain, ...
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2021-02-22
Release date:2021-04-21
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Vaccination with prefusion-stabilized respiratory syncytial virus fusion protein induces genetically and antigenically diverse antibody responses.
Immunity, 54, 2021
5IPL
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BU of 5ipl by Molmil
SigmaS-transcription initiation complex with 4-nt nascent RNA
Descriptor: DIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Zuo, Y, Steitz, T.A.
Deposit date:2016-03-09
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structures of E. coli sigma S-transcription initiation complexes provide new insights into polymerase mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
8V1L
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BU of 8v1l by Molmil
Crystal structure of the NTF2L domain of human G3BP1 in complex with small molecule
Descriptor: N-[(2S)-2-fluoro-4,4-dimethylpentanoyl]-3-hydroxy-L-valyl-(betaS)-beta-methyl-L-phenylalanyl-D-alanyl-N-benzyl-N,O-dimethyl-L-homoserinamide, Ras GTPase-activating protein-binding protein 1
Authors:Hughes, M.P, Taylor, J.P.
Deposit date:2023-11-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Identification of small molecule inhibitors of G3BP-driven stress granule formation.
J.Cell Biol., 223, 2024
8C89
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BU of 8c89 by Molmil
SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab)
Descriptor: 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G.
Deposit date:2023-01-19
Release date:2024-01-10
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.41 Å)
Cite:A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity.
Nat Commun, 15, 2024
1C94
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BU of 1c94 by Molmil
REVERSING THE SEQUENCE OF THE GCN4 LEUCINE ZIPPER DOES NOT AFFECT ITS FOLD.
Descriptor: RETRO-GCN4 LEUCINE ZIPPER
Authors:Mittl, P.R.E, Deillon, C.A, Sargent, D, Liu, N, Klauser, S, Thomas, R.M, Gutte, B, Gruetter, M.G.
Deposit date:1999-07-30
Release date:2000-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The retro-GCN4 leucine zipper sequence forms a stable three-dimensional structure.
Proc.Natl.Acad.Sci.USA, 97, 2000
5U2J
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BU of 5u2j by Molmil
MORF double PHD finger (DPF) in complex with histone H3K14bu
Descriptor: Histone H3K14bu, Histone acetyltransferase KAT6B, ZINC ION
Authors:Andrews, F.H, Klein, B.J, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-04-12
Last modified:2017-04-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of Histone H3K14 Acylation by MORF.
Structure, 25, 2017
5TQA
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BU of 5tqa by Molmil
Crystal Structure of DH270.6 (unliganded) from the DH270 Broadly Neutralizing N332-Glycan Dependent Lineage
Descriptor: DH270.6 Fab heavy chain, DH270.6 Fab light chain
Authors:Fera, D, Harrison, S.C.
Deposit date:2016-10-23
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.723 Å)
Cite:Staged induction of HIV-1 glycan-dependent broadly neutralizing antibodies.
Sci Transl Med, 9, 2017
7RM9
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BU of 7rm9 by Molmil
Human Malate Dehydrogenase I (MDHI)
Descriptor: MALONATE ION, Malate dehydrogenase, cytoplasmic
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-27
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Characterization of the Human Cytosolic Malate Dehydrogenase I.
Acs Omega, 7, 2022
5CLA
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BU of 5cla by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing an abasic site and a free nucleobase (100% product at 360 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(ORP)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
5TRP
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BU of 5trp by Molmil
Crystal Structure of the Unliganded DH270 Cooperating Lineage Member DH272
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH272 Fab heavy chain, DH272 Fab light chain, ...
Authors:Fera, D, Harrison, S.C.
Deposit date:2016-10-27
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.692 Å)
Cite:Staged induction of HIV-1 glycan-dependent broadly neutralizing antibodies.
Sci Transl Med, 9, 2017
5CLD
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BU of 5cld by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing an oxocarbenium-intermediate analog and a free 3-methyladenine nucleobase
Descriptor: 3-METHYL-3H-PURIN-6-YLAMINE, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(NRI)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
7K98
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BU of 7k98 by Molmil
Preaminoacylation complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine (F-AMS)
Descriptor: 5'-O-(L-phenylalanylsulfamoyl)adenosine, CHLORIDE ION, GLYCEROL, ...
Authors:Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-28
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
8IXT
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BU of 8ixt by Molmil
Rat Transcobalamin in Complex with Glutathionylcobalamin
Descriptor: CHLORIDE ION, COBALAMIN, GLUTATHIONE, ...
Authors:Bokhove, M, Kumasaka, T.
Deposit date:2023-04-03
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structure of the rat vitamin B 12 transporter TC and its complex with glutathionylcobalamin.
J.Biol.Chem., 300, 2024
6QF9
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BU of 6qf9 by Molmil
Structure of an anti-Mcl1 scFv
Descriptor: scFv
Authors:Luptak, J.
Deposit date:2019-01-09
Release date:2019-11-06
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
8IXU
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BU of 8ixu by Molmil
Rat Transcobalamin in Complex with Cobalamin
Descriptor: CHLORIDE ION, COBALAMIN, NITRATE ION, ...
Authors:Bokhove, M, Kumasaka, T.
Deposit date:2023-04-03
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The structure of the rat vitamin B 12 transporter TC and its complex with glutathionylcobalamin.
J.Biol.Chem., 300, 2024
3I5L
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BU of 3i5l by Molmil
Allosteric Modulation of DNA by Small Molecules
Descriptor: (22R,51R)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,6 5-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10( 65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone, 5'-D(*CP*CP*AP*GP*GP*(C38)P*CP*TP*GP*G)-3', CALCIUM ION
Authors:Chenoweth, D.M, Dervan, P.B.
Deposit date:2009-07-05
Release date:2009-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Allosteric modulation of DNA by small molecules
Proc.Natl.Acad.Sci.USA, 106, 2009
6QJP
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BU of 6qjp by Molmil
Cryo-EM structure of heparin-induced 2N4R tau jagged filaments
Descriptor: Microtubule-associated protein tau
Authors:Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
Deposit date:2019-01-24
Release date:2019-02-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
6E0M
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BU of 6e0m by Molmil
Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase
Descriptor: DIPHOSPHATE, cGAS/DncV-like nucleotidyltransferase in E. coli homolog
Authors:Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J.
Deposit date:2018-07-06
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019

224004

數據於2024-08-21公開中

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