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5UX9
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BU of 5ux9 by Molmil
The crystal structure of chloramphenicol acetyltransferase from Vibrio fischeri ES114
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CHLORIDE ION, ...
Authors:Tan, K, Zhou, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-22
Release date:2017-03-08
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of chloramphenicol acetyltransferase from Vibrio fischeri ES114
To Be Published
7CKB
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BU of 7ckb by Molmil
Simplified Alpha-Carboxysome, T=3
Descriptor: Major carboxysome shell protein 1A, Unidentified carboxysome polypeptide
Authors:Tan, Y.Q, Ali, S, Xue, B, Robinson, R.C, Narita, A, Yew, W.S.
Deposit date:2020-07-16
Release date:2021-08-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structure of a Minimal alpha-Carboxysome-Derived Shell and Its Utility in Enzyme Stabilization.
Biomacromolecules, 22, 2021
6DVV
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BU of 6dvv by Molmil
2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD and Mn2+.
Descriptor: 6-phospho-alpha-glucosidase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-06-25
Release date:2018-07-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
1GH1
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BU of 1gh1 by Molmil
NMR STRUCTURES OF WHEAT NONSPECIFIC LIPID TRANSFER PROTEIN
Descriptor: NONSPECIFIC LIPID TRANSFER PROTEIN
Authors:Gincel, E, Simorre, J.P, Caille, A, Marion, D, Ptak, M, Vovelle, F.
Deposit date:2000-10-29
Release date:2000-11-22
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Three-dimensional structure in solution of a wheat lipid-transfer protein from multidimensional 1H-NMR data. A new folding for lipid carriers.
Eur.J.Biochem., 226, 1994
7CKC
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BU of 7ckc by Molmil
Simplified Alpha-Carboxysome, T=4
Descriptor: Major carboxysome shell protein 1A, Unidentified carboxysome polypeptide
Authors:Tan, Y.Q, Ali, S, Xue, B, Robinson, R.C, Narita, A, Yew, W.S.
Deposit date:2020-07-16
Release date:2021-08-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of a Minimal alpha-Carboxysome-Derived Shell and Its Utility in Enzyme Stabilization.
Biomacromolecules, 22, 2021
5VAH
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BU of 5vah by Molmil
Crystal structure of ATXR5 SET domain in complex with histone H3 di-methylated on R26
Descriptor: Histone H3.2, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F.
Deposit date:2017-03-26
Release date:2017-04-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
6KSD
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BU of 6ksd by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, SULFATE ION
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-08-23
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
5V2G
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BU of 5v2g by Molmil
De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures
Descriptor: 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide
Authors:Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F.
Deposit date:2017-03-03
Release date:2017-09-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4EID
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BU of 4eid by Molmil
Crystal structure of cytochrome c6 Q57V mutant from Synechococcus sp. PCC 7002
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c6, HEME C
Authors:Krzywda, S, Bialek, W, Zatwarnicki, P, Jaskolski, M, Szczepaniak, A.
Deposit date:2012-04-05
Release date:2013-04-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Cytochrome c6 and c6C from Synechococcus sp. PCC 7002 - structure and function.
To be Published
6DXP
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BU of 6dxp by Molmil
The crystal structure of an FMN-dependent NADH-azoreductase from Klebsiella pneumoniae
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Arcinas, A.J, Ghosh, A, Chamala, S, Bonanno, J.B, Kelly, L, Almo, S.C.
Deposit date:2018-06-29
Release date:2018-07-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.478 Å)
Cite:The crystal structure of an FMN-dependent NADH-azoreductase from Klebsiella pneumoniae
To Be Published
5VBK
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BU of 5vbk by Molmil
Crystal structure of a galactose-binding Lectin from Mytilus californianus
Descriptor: GLYCEROL, Lectin
Authors:Hernandez-Santoyo, A, Garcia-Maldonado, E.
Deposit date:2017-03-29
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.788 Å)
Cite:Molecular and functional characterization of a glycosylated Galactose-Binding lectin from Mytilus californianus.
Fish Shellfish Immunol., 66, 2017
6DHV
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BU of 6dhv by Molmil
Structure of Arabidopsis Fatty Acid Amide Hydrolase
Descriptor: Fatty acid amide hydrolase
Authors:Aziz, M, Wang, X, Tripathi, A, Bankaitis, V, Chapman, K.D.
Deposit date:2018-05-21
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural analysis of a plant fatty acid amide hydrolase provides insights into the evolutionary diversity of bioactive acylethanolamides.
J.Biol.Chem., 294, 2019
3REW
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BU of 3rew by Molmil
Crystal structure of an lmp2a-derived peptide bound to human class i mhc hla-a2
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Wood, A, Mohammed, F, Salim, M, Tranter, A, Rickinson, A.B, Moss, P.A.H, Stauss, H.J, Steven, N.M, Willcox, B.E.
Deposit date:2011-04-05
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and energetic evidence for highly peptide-specific tumor antigen targeting via allo-MHC restriction.
Proc.Natl.Acad.Sci.USA, 108, 2011
6KRH
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BU of 6krh by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ...
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-08-21
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
2ZMK
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BU of 2zmk by Molmil
Crystl structure of Basic Winged bean lectin in complex with Gal-alpha-1,4-Gal-Beta-Ethylene
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Basic agglutinin, ...
Authors:Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M.
Deposit date:2008-04-19
Release date:2008-07-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and sugar-specificity of basic winged-bean lectin: structures of new disaccharide complexes and a comparative study with other known disaccharide complexes of the lectin.
Acta Crystallogr.,Sect.D, 64, 2008
5UM4
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BU of 5um4 by Molmil
Crystal structure of the F255A mutant Kir3.1 cytoplasmic pore domain
Descriptor: G protein-activated inward rectifier potassium channel 1
Authors:Meinke, G, Bohm, A, Noujaim, S.
Deposit date:2017-01-26
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the F255A mutant Kir3.1 cytoplasmic pore domain
To Be Published
7CME
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BU of 7cme by Molmil
Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor)
Descriptor: 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ...
Authors:Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K.
Deposit date:2020-07-27
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Commun Biol, 4, 2021
6KSC
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BU of 6ksc by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase A, SULFATE ION
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-08-23
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
7CMF
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BU of 7cmf by Molmil
Crystal structure of human P-cadherin REC12 (monomer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor)
Descriptor: 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3
Authors:Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K.
Deposit date:2020-07-27
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Commun Biol, 4, 2021
5UPT
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BU of 5upt by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP468 ligand
Descriptor: (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5UPX
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BU of 5upx by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria Monocytogenes in the presence of Xanthosine Monophosphate
Descriptor: GLYCEROL, Inosine-5'-monophosphate dehydrogenase, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Kim, Y, Makowska-Grzyska, M, Osipiuk, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-04
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.855 Å)
Cite:Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria Monocytogenes in the presence of Xanthosine Monophosphate
To Be Published
5UQP
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BU of 5uqp by Molmil
The crystal structure of cupin protein from Rhodococcus jostii RHA1
Descriptor: CHLORIDE ION, Cupin, SULFATE ION, ...
Authors:Tan, K, Li, H, Clancy, S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-08
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of cupin protein from Rhodococcus jostii RHA1
To Be Published
5VS7
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BU of 5vs7 by Molmil
Bromodomain of PF3D7_1475600 from Plasmodium falciparum complexed with peptide H4K5ac
Descriptor: Bromodomain protein, putative, CHLORIDE ION, ...
Authors:Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2017-05-11
Release date:2017-05-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Bromodomain of PF3D7_1475600 from Plasmodium falciparum complexed with peptide H4K5ac
To be published
2OVX
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BU of 2ovx by Molmil
MMP-9 active site mutant with barbiturate inhibitor
Descriptor: 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE, CALCIUM ION, CHLORIDE ION, ...
Authors:Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
Deposit date:2007-02-15
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
7CLE
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BU of 7cle by Molmil
Non-Specific Class-c acidphosphatase from Sphingobium sp. RSMS
Descriptor: Acid phosphatase, MAGNESIUM ION
Authors:Gaur, N.K, Kumar, A, Sunder, S, Mukhopadhyaya, R, Makde, R.D.
Deposit date:2020-07-20
Release date:2021-11-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:Non-Specific Class-c acidphosphatase from Sphingobium sp. RSMS
To Be Published

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