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5LOX
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BU of 5lox by Molmil
Helical Assembly of the Anbu Complex from Pseudomonas aeruginosa
Descriptor: Peptidase
Authors:Fuchs, A.C.D, Albrecht, R, Martin, J, Hartmann, M.D.
Deposit date:2016-08-10
Release date:2017-06-07
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Architecture of the Anbu Complex Reflects an Evolutionary Intermediate at the Origin of the Proteasome System.
Structure, 25, 2017
4YZT
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BU of 4yzt by Molmil
Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis complexed with cellotetraose
Descriptor: 1,2-ETHANEDIOL, Cellulose hydrolase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Liberato, M.V, Popov, A, Polikarpov, I.
Deposit date:2015-03-25
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.665 Å)
Cite:Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Sci Rep, 6, 2016
5LS7
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BU of 5ls7 by Molmil
Complex of wild type E. coli alpha aspartate decarboxylase with its processing factor PanZ
Descriptor: ACETYL COENZYME *A, Aspartate 1-decarboxylase, CARBON DIOXIDE, ...
Authors:Monteiro, D.C.F, Webb, M.E, Pearson, A.R.
Deposit date:2016-08-22
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:The Mechanism of Regulation of Pantothenate Biosynthesis by the PanD-PanZAcCoA Complex Reveals an Additional Mode of Action for the Antimetabolite N-Pentyl Pantothenamide (N5-Pan).
Biochemistry, 56, 2017
6WPK
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BU of 6wpk by Molmil
SARM1 Autoinhibited Conformation
Descriptor: NAD(+) hydrolase SARM1
Authors:Xie, T, Bratkowski, M, Bai, X, Sambashivan, S.
Deposit date:2020-04-27
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural and Mechanistic Regulation of the Prodegenerative NAD Hydrolase SARM1
Cell Rep, 32, 2020
8TH9
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BU of 8th9 by Molmil
Structure of mammalian NEIL2 from Monodelphis domestica in complex with THF-containing DNA
Descriptor: DIMETHYL SULFOXIDE, DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3'), ...
Authors:Eckenroth, B.E, Doublie, S.
Deposit date:2023-07-14
Release date:2023-11-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural and biochemical insights into NEIL2's preference for abasic sites.
Nucleic Acids Res., 51, 2023
4Z0B
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BU of 4z0b by Molmil
Crystal Structure of the Fab Fragment of Anti-ofloxacin Antibody and Exploration Its Receptor Binding Site
Descriptor: PHOSPHATE ION, antibody heavy chain, antibody light chain
Authors:He, K, Du, X, Sheng, W, Zhou, X, Wang, J, Wang, S.
Deposit date:2015-03-26
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of the Fab Fragment of an Anti-ofloxacin Antibody and Exploration of Its Specific Binding.
J.Agric.Food Chem., 64, 2016
4PZ5
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BU of 4pz5 by Molmil
Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of BBK32 from Borrelia burgdorferi
Descriptor: Fibronectin, Fibronectin-binding protein BBK32
Authors:Harris, G, Potts, J.R.
Deposit date:2014-03-28
Release date:2014-07-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Borrelia burgdorferi Protein BBK32 Binds to Soluble Fibronectin via the N-terminal 70-kDa Region, Causing Fibronectin to Undergo Conformational Extension.
J.Biol.Chem., 289, 2014
4PZD
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BU of 4pzd by Molmil
Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 in complex with NAD+
Descriptor: 3-Hydroxyacyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kim, J, Chang, J.H, Kim, K.J.
Deposit date:2014-03-29
Release date:2015-02-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure and biochemical properties of the (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 448, 2014
4ZCV
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BU of 4zcv by Molmil
Structure of calcium-bound regulatory domain of the human ATP-Mg/Pi carrier in the P212121 form
Descriptor: CALCIUM ION, Calcium-binding mitochondrial carrier protein SCaMC-1, GLYCEROL, ...
Authors:Harborne, S.P.D, Ruprecht, J.J, Kunji, E.R.S.
Deposit date:2015-04-16
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Calcium-induced conformational changes in the regulatory domain of the human mitochondrial ATP-Mg/Pi carrier.
Biochim.Biophys.Acta, 1847, 2015
5LOU
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BU of 5lou by Molmil
human NUDT22
Descriptor: Nucleoside diphosphate-linked moiety X motif 22, PHOSPHATE ION
Authors:Carter, M, Stenmark, P.
Deposit date:2016-08-10
Release date:2017-09-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human NUDT22 Is a UDP-Glucose/Galactose Hydrolase Exhibiting a Unique Structural Fold.
Structure, 26, 2018
8TT7
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BU of 8tt7 by Molmil
NMR Assignments and Structure for the Dimeric Kinesin Neck Domain
Descriptor: Kinesin heavy chain isoform 5C
Authors:Alexandrescu, A.T.
Deposit date:2023-08-12
Release date:2023-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR assignments and structure for the dimeric kinesin neck domain.
Biomol.Nmr Assign., 17, 2023
2XBR
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BU of 2xbr by Molmil
Raman crystallography of Hen White Egg Lysozyme - Low X-ray dose (0.2 MGy)
Descriptor: CHLORIDE ION, LYSOZYME C
Authors:Carpentier, P, Royant, A, Weik, M, Bourgeois, D.
Deposit date:2010-04-14
Release date:2010-11-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation
Structure, 18, 2010
4GPR
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BU of 4gpr by Molmil
Crystal structure of EhUbc5, a ubiquitin conjugating enzyme from Entamoeba histolytica
Descriptor: COBALT (II) ION, Ubiquitin-conjugating enzyme family protein
Authors:Bosch, D.E, Siderovski, D.P.
Deposit date:2012-08-21
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Determinants of Ubiquitin Conjugation in Entamoeba histolytica.
J.Biol.Chem., 288, 2013
8TAZ
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BU of 8taz by Molmil
Cryo-EM structure of mink variant Y453F trimeric spike protein bound to one mink ACE2 receptors
Descriptor: Angiotensin-converting enzyme, Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Liang, B.
Deposit date:2023-06-28
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
6WXU
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BU of 6wxu by Molmil
CryoEM structure of mouse DUOX1-DUOXA1 complex in the dimer-of-dimer state
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Sun, J.
Deposit date:2020-05-12
Release date:2020-09-02
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures of mouse DUOX1-DUOXA1 provide mechanistic insights into enzyme activation and regulation.
Nat.Struct.Mol.Biol., 27, 2020
1MNB
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BU of 1mnb by Molmil
BIV TAT PEPTIDE (RESIDUES 68-81), NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: BIV TAR RNA, BIV TAT PEPTIDE
Authors:Puglisi, J.D, Chen, L, Blanchard, S, Frankel, A.D.
Deposit date:1996-07-25
Release date:1997-01-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a bovine immunodeficiency virus Tat-TAR peptide-RNA complex.
Science, 270, 1995
8GU6
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BU of 8gu6 by Molmil
Structure of the SbCas7-11-crRNA-NTR-Csx29 complex
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-09-10
Release date:2023-01-18
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Target RNA-guided protease activity in type III-E CRISPR-Cas system.
Nucleic Acids Res., 50, 2022
4QBX
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BU of 4qbx by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) at 0.98 A
Descriptor: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-05-09
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
8GQ5
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BU of 8gq5 by Molmil
Human SARM1 bounded with NMN and Nanobody-C6, double-layer structure
Descriptor: NAD(+) hydrolase SARM1, Nanobody C6
Authors:Cai, Y, Zhang, H.
Deposit date:2022-08-29
Release date:2023-01-18
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A conformation-specific nanobody targeting the nicotinamide mononucleotide-activated state of SARM1.
Nat Commun, 13, 2022
8TWE
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BU of 8twe by Molmil
Cryo-EM structure of the PP2A:B55-FAM122A complex, B55 body
Descriptor: PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
Authors:Fuller, J.R, Padi, S.K.R, Peti, W, Page, R.
Deposit date:2023-08-21
Release date:2023-11-01
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
8GQ0
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BU of 8gq0 by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with STL233497
Descriptor: Bromodomain-containing protein 4, FORMIC ACID, GLYCEROL, ...
Authors:Park, T.H, Lee, B.I.
Deposit date:2022-08-27
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study.
Sci Rep, 13, 2023
4ZE6
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BU of 4ze6 by Molmil
Endothiapepsin in complex with fragment B39
Descriptor: 1,2-ETHANEDIOL, 7-aminoheptanoic acid, ACETATE ION, ...
Authors:Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
Deposit date:2015-04-20
Release date:2016-05-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
1MDI
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BU of 1mdi by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN MUTANT HUMAN THIOREDOXIN AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB
Descriptor: TARGET SITE IN HUMAN NFKB, THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1995-02-27
Release date:1995-06-03
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B.
Structure, 3, 1995
8G08
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BU of 8g08 by Molmil
Cryo-EM structure of SQ31f-bound Mycobacterium smegmatis ATP synthase rotational state 1 (backbone model)
Descriptor: 3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Courbon, G.M, Rubinstein, J.L.
Deposit date:2023-01-31
Release date:2023-02-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines.
Embo J., 42, 2023
4Z32
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BU of 4z32 by Molmil
Crystal Structure of the FERM-SH2 Domains of Jak2
Descriptor: Tyrosine-protein kinase JAK2
Authors:McNally, R, Eck, M.J.
Deposit date:2015-03-30
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Crystal Structure of the FERM-SH2 Module of Human Jak2.
Plos One, 11, 2016

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數據於2024-10-30公開中

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