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6WEY
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BU of 6wey by Molmil
High-resolution structure of the SARS-CoV-2 NSP3 Macro X domain
Descriptor: Non-structural protein 3
Authors:Vuksanovic, N, Silvaggi, N.R.
Deposit date:2020-04-03
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Molecular Basis for ADP-Ribose Binding to the Mac1 Domain of SARS-CoV-2 nsp3.
Biochemistry, 59, 2020
5AXE
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BU of 5axe by Molmil
Crystal Structure Analysis of DNA Duplexes containing sulfoamide-bridged nucleic acid (SuNA-NH)
Descriptor: DNA (5'-D(*GP*CP*GP*TP*AP*(LSH)P*AP*CP*GP*C)-3')
Authors:Mitsuoka, Y, Aoyama, H, Kugimiya, A, Fujimura, Y, Yamamoto, T, Waki, R, Wada, F, Tahara, S, Sawamura, M, Noda, M, Hari, Y, Obika, S.
Deposit date:2015-07-28
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure.
Org.Biomol.Chem., 14, 2016
8I50
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BU of 8i50 by Molmil
Crystal structure of DNA octamer containing GuNA[Me,Me]
Descriptor: DNA (5'-D(*GP*(OIQ)P*GP*(BRU)P*AP*CP*AP*C)-3')
Authors:Aoyama, H, Obika, S, Yamaguchi, T.
Deposit date:2023-01-21
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Mechanism of the extremely high duplex-forming ability of oligonucleotides modified with N-tert-butylguanidine- or N-tert-butyl-N'- methylguanidine-bridged nucleic acids.
Nucleic Acids Res., 51, 2023
5M2H
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BU of 5m2h by Molmil
Crystal structure of vancomycin-Zn(II)-citrate complex
Descriptor: CITRIC ACID, HEXAETHYLENE GLYCOL, Vancomycin, ...
Authors:Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J.
Deposit date:2016-10-13
Release date:2017-07-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria.
Sci Rep, 7, 2017
1KTH
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BU of 1kth by Molmil
The Anisotropic Refinement Of Kunitz Type Domain C5 at 0.95 Angstrom
Descriptor: Collagen alpha 3(VI) chain, PHOSPHATE ION
Authors:Arnoux, B, Ducruix, A, Prange, T.
Deposit date:2002-01-16
Release date:2002-02-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Anisotropic behaviour of the C-terminal Kunitz-type domain of the alpha3 chain of human type VI collagen at atomic resolution (0.9 A).
Acta Crystallogr.,Sect.D, 58, 2002
7WD6
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BU of 7wd6 by Molmil
The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with hexanoic acid
Descriptor: Fatty acid-binding protein, heart, HEXANOIC ACID, ...
Authors:Sugiyama, S, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
Deposit date:2021-12-21
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with hexanoic acid
To Be Published
5ZGX
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BU of 5zgx by Molmil
Crystal structure of NDM-1 at pH7.5 (Succinate) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
7DC4
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BU of 7dc4 by Molmil
Crystal structure of glycan-bound Pseudomonas taiwanensis lectin
Descriptor: Lectin, SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose
Authors:Oda, K, Matoba, Y.
Deposit date:2020-10-23
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Lectins engineered to favor a glycan-binding conformation have enhanced antiviral activity.
J.Biol.Chem., 296, 2021
7QQC
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BU of 7qqc by Molmil
Structure of CTX-M-15 K73A mutant
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-01-07
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
7QQ5
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BU of 7qq5 by Molmil
Structure of CTX-M-15 K73A mutant crystallised in the presence of enmetazobactam (AAI101)
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-01-06
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
4KQP
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BU of 4kqp by Molmil
Crystal structure of Lactococcus lactis GlnP substrate binding domain 2 (SBD2) in complex with glutamine at 0.95 A resolution
Descriptor: GLUTAMINE, Glutamine ABC transporter permease and substrate binding protein protein
Authors:Vujicic Zagar, A, Guskov, A, Schuurman-Wolters, G.K, Slotboom, D.J, Poolman, B.
Deposit date:2013-05-15
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria.
Structure, 21, 2013
4O6Q
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BU of 4o6q by Molmil
0.95A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (Y75A mutant)
Descriptor: FORMIC ACID, HasAp, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M.
Deposit date:2013-12-23
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
4Z8J
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BU of 4z8j by Molmil
Crystal structure of the SNX27 PDZ domain bound to the C-terminal PTHR PDZ binding motif
Descriptor: C-terminal PDZ binding motif from parathyroid hormone receptor (PTHR), Sorting nexin-27
Authors:Clairfeuille, T, Pavlos, N, Collins, B.M.
Deposit date:2015-04-09
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Role of SNX27-retromer in PTHR trafficking
To Be Published
2IDU
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BU of 2idu by Molmil
Structure of M98Q mutant of amicyanin, Cu(I)
Descriptor: Amicyanin, COPPER (I) ION
Authors:Carrell, C.J, Ma, J.K, Antholine, W, Hosler, J.P, Mathews, F.S, Davidson, V.L.
Deposit date:2006-09-15
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Generation of Novel Copper Sites by Mutation of the Axial Ligand of Amicyanin. Atomic Resolution Structures and Spectroscopic Properties
Biochemistry, 46, 2007
1HJ9
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BU of 1hj9 by Molmil
Atomic resolution structures of trypsin provide insight into structural radiation damage
Descriptor: ANILINE, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Leiros, H.-K.S, McSweeney, S.M, Smalas, A.O.
Deposit date:2001-01-10
Release date:2002-01-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Atomic Resolution Structure of Trypsin Provide Insight Into Structural Radiation Damage
Acta Crystallogr.,Sect.D, 57, 2001
5OAV
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BU of 5oav by Molmil
High resolution crystal structure of the c-Src-SH3 domain mutant E93V in complex with the high affinity synthetic peptide APP12: monoclinic crystal
Descriptor: APP12, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A.
Deposit date:2017-06-23
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:High resolution crystal structure of the c-Src-SH3 domain mutant E93V in complex with the high affinity synthetic peptide APP12: monoclinic crystal
to be published
1S5N
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BU of 1s5n by Molmil
Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift
Descriptor: HYDROXIDE ION, MANGANESE (II) ION, SODIUM ION, ...
Authors:Fenn, T.D, Ringe, D, Petsko, G.A.
Deposit date:2004-01-21
Release date:2004-02-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,).
Biochemistry, 43, 2004
6TXP
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BU of 6txp by Molmil
Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
Descriptor: (2-carbamoyl-5-fluorophenoxy)acetic acid, 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, ...
Authors:Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
Deposit date:2020-01-14
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
3NJ6
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BU of 3nj6 by Molmil
0.95 A resolution X-ray structure of (GGCAGCAGCC)2
Descriptor: 5'-R(*GP*GP*CP*AP*GP*CP*AP*GP*CP*C)-3', SULFATE ION
Authors:Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W.
Deposit date:2010-06-17
Release date:2010-08-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Atomic resolution structure of CAG RNA repeats: structural insights and implications for the trinucleotide repeat expansion diseases.
Nucleic Acids Res., 38, 2010
1ZZK
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BU of 1zzk by Molmil
Crystal Structure of the third KH domain of hnRNP K at 0.95A resolution
Descriptor: Heterogeneous nuclear ribonucleoprotein K
Authors:Backe, P.H, Messias, A.C, Ravelli, R.B, Sattler, M, Cusack, S.
Deposit date:2005-06-14
Release date:2005-08-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:X-Ray Crystallographic and NMR Studies of the Third KH Domain of hnRNP K in Complex with Single-Stranded Nucleic Acids
STRUCTURE, 13, 2005
1ICK
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BU of 1ick by Molmil
LEFT-HANDED Z-DNA HEXAMER DUPLEX D(CGCGCG)2
Descriptor: 5'-D(*CP*GP*CP*GP*CP*G)-3', MAGNESIUM ION, SPERMINE
Authors:Dauter, Z, Adamiak, D.A.
Deposit date:2001-04-01
Release date:2001-04-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Anomalous signal of phosphorus used for phasing DNA oligomer: importance of data redundancy.
Acta Crystallogr.,Sect.D, 57, 2001
2ZQA
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BU of 2zqa by Molmil
Cefotaxime acyl-intermediate structure of class a beta-lacta Toho-1 E166A/R274N/R276N triple mutant
Descriptor: Beta-lactamase Toho-1, CEFOTAXIME, C3' cleaved, ...
Authors:Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates
To be Published
5U3A
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BU of 5u3a by Molmil
Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Caner, S, Brayer, G.D.
Deposit date:2016-12-01
Release date:2017-12-06
Last modified:2022-04-27
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Folding Then Binding vs Folding Through Binding in Macrocyclic Peptide Inhibitors of Human Pancreatic alpha-Amylase.
Acs Chem.Biol., 14, 2019
3OMJ
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BU of 3omj by Molmil
Structural Basis for Cyclic Py-Im Polyamide Allosteric Inhibition of Nuclear Receptor Binding
Descriptor: (23R,52R)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[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*(C38)P*AP*GP*TP*AP*CP*TP*GP*G)-3', CALCIUM ION
Authors:Chenoweth, D.M.
Deposit date:2010-08-27
Release date:2010-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural basis for cyclic py-im polyamide allosteric inhibition of nuclear receptor binding.
J.Am.Chem.Soc., 132, 2010
6TWT
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BU of 6twt by Molmil
Crystal structure of N-terminally truncated NDM-1 metallo-beta-lactamase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Imiolczyk, B, Czyrko-Horczak, J, Brzezinski, K, Jaskolski, M.
Deposit date:2020-01-13
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates.
Int.J.Biol.Macromol., 158, 2020

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