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7OSW
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BU of 7osw by Molmil
Structure and folding of a 600-million-year-old nuclear coactivator binding domain suggest conservation of dynamic properties
Descriptor: NCBD
Authors:Chi, C.
Deposit date:2021-06-09
Release date:2022-04-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The dynamic properties of a nuclear coactivator binding domain are evolutionarily conserved.
Commun Biol, 5, 2022
7DMO
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BU of 7dmo by Molmil
Crystal structures of two pericyclases catalyzing [4+2] cycloadditions
Descriptor: Diels-Alderase
Authors:Wang, Z.D, Chi, C.B, Ma, M.
Deposit date:2020-12-04
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.
Acs Omega, 6, 2021
7DMN
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BU of 7dmn by Molmil
Crystal structure of two pericyclases catalyzing [4+2] cycloaddition
Descriptor: Diels-Alderase fsa2, GLYCEROL
Authors:Chi, C.B, Wang, Z.D, Liu, T, Zhang, Z.Y, Ma, M.
Deposit date:2020-12-04
Release date:2021-10-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.
Acs Omega, 6, 2021
1VBS
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BU of 1vbs by Molmil
STRUCTURE OF CYCLOPHILIN COMPLEXED WITH (D)ALA CONTAINING TETRAPEPTIDE
Descriptor: CYCLOPHILIN A, TETRAPEPTIDE
Authors:Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H.
Deposit date:1998-06-16
Release date:1999-01-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping the stereospecificity of peptidyl prolyl cis/trans isomerases.
FEBS Lett., 432, 1998
4X9Z
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BU of 4x9z by Molmil
Dimeric conotoxin alphaD-GeXXA
Descriptor: alphaD-conotoxin GeXXA from the venom of Conus generalis
Authors:Xu, S, Zhang, T, Kompella, S, Adams, D, Ding, J, Wang, C.
Deposit date:2014-12-12
Release date:2015-12-02
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conotoxin alpha D-GeXXA utilizes a novel strategy to antagonize nicotinic acetylcholine receptors
Sci Rep, 5, 2015
7QCX
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BU of 7qcx by Molmil
Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, apo form
Descriptor: Tyrosine-protein phosphatase non-receptor type 13
Authors:Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R.
Deposit date:2021-11-25
Release date:2022-09-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
7QCY
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BU of 7qcy by Molmil
Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, complexed with RA-GEF2 peptide
Descriptor: Tyrosine-protein phosphatase non-receptor type 13
Authors:Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R.
Deposit date:2021-11-25
Release date:2022-09-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
2LMZ
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BU of 2lmz by Molmil
Solution NMR structure of the novel conotoxin im23a from Conus imperialis
Descriptor: Conotoxin im17a
Authors:Khoo, K.K, Galea, C.A, Boonyalai, N, Norton, R.S.
Deposit date:2011-12-15
Release date:2012-03-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A helical conotoxin from Conus imperialis has a novel cysteine framework and defines a new superfamily.
J.Biol.Chem., 287, 2012
8DWI
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BU of 8dwi by Molmil
Molecular Mechanism of Sialic Acid Transport Mediated by Sialin
Descriptor: Sialin
Authors:Hu, W, Zheng, H.
Deposit date:2022-08-01
Release date:2023-01-25
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The molecular mechanism of sialic acid transport mediated by Sialin.
Sci Adv, 9, 2023
2JQB
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BU of 2jqb by Molmil
Solution structure of a novel D-amiNo acid containing conopeptide, conomarphin at pH 5
Descriptor: Conomarphin
Authors:Huang, F, Du, W, Han, Y, Wang, C, Chi, C.
Deposit date:2007-05-31
Release date:2008-06-03
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution structure of a novel D-amiNo acid containing conopeptide, conomarphin at pH 5
To be Published
7CRN
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BU of 7crn by Molmil
The Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization
Descriptor: Non-ribosomal peptide synthetase 4
Authors:Yu, J.H, Song, J, Chi, C.B, Ma, M.
Deposit date:2020-08-14
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization in Skyllamycin Biosynthesis
Acs Catalysis, 11, 2021
7DXO
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BU of 7dxo by Molmil
The mutant of bifunctional thioesterase catalyzing epimerization and cyclization
Descriptor: Non-ribosomal peptide synthetase 4
Authors:Yu, J.H, Song, J, Chi, C.B, Ma, M.
Deposit date:2021-01-19
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization in Skyllamycin Biosynthesis
Acs Catalysis, 11, 2021
5LG8
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BU of 5lg8 by Molmil
Human L-type ferritin iron loaded for 60 minutes
Descriptor: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2016-07-06
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Chemistry at the protein-mineral interface in L-ferritin assists the assembly of a functional ( mu (3)-oxo)Tris[( mu (2)-peroxo)] triiron(III) cluster.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4UFQ
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BU of 4ufq by Molmil
Structure of a novel Hyaluronidase (Hyal_Sk) from Streptomyces koganeiensis.
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Gavira, J.A, Messina, L, Pernagallo, S, Unciti-Broceta, J.D, Conejero-Muriel, M, Diaz-Mochon, J.J, Vaccaro, S, Caruso, S, Musumeci, L, Bisicchia, S, Di Pasquale, R.
Deposit date:2015-03-18
Release date:2016-04-13
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Identification and Characterization of a Bacterial Hyaluronidase and its Production in Recombinant Form.
FEBS Lett., 590, 2016
1SMF
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BU of 1smf by Molmil
Studies on an artificial trypsin inhibitor peptide derived from the mung bean inhibitor
Descriptor: BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, CALCIUM ION, TRYPSIN
Authors:Huang, Q, Li, Y, Zhang, S, Liu, S, Tang, Y, Qi, C.
Deposit date:1992-10-24
Release date:1994-07-31
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Studies on an artificial trypsin inhibitor peptide derived from the mung bean trypsin inhibitor: chemical synthesis, refolding, and crystallographic analysis of its complex with trypsin.
J.Biochem.(Tokyo), 116, 1994
6LE0
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BU of 6le0 by Molmil
A nonspecific heme-binding cyclase catalyzes [4 + 2] cycloaddition during neoabyssomicin biosynthesis
Descriptor: AbmU
Authors:Ju, J.J.
Deposit date:2019-11-23
Release date:2020-11-25
Last modified:2021-06-09
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Nonspecific Heme-Binding Cyclase, AbmU, Catalyzes [4 + 2] Cycloaddition during Neoabyssomicin Biosynthesis.
Acs Omega, 5, 2020
4GQL
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BU of 4gql by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ...
Authors:Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
Deposit date:2012-08-23
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4GR3
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BU of 4gr3 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al pha-glutamine, ...
Authors:Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
Deposit date:2012-08-24
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
7E4M
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BU of 7e4m by Molmil
Class I Pimarane-Type Diterpene Synthases Stt4548
Descriptor: Stt4548
Authors:Yu, J.H, Xing, B.Y, Ma, M.
Deposit date:2021-02-14
Release date:2021-10-06
Last modified:2022-04-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Functional characterization and structural bases of two class I diterpene synthases in pimarane-type diterpene biosynthesis
Commun Chem, 4, 2021
7E4O
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BU of 7e4o by Molmil
Class I Pimarane-Type Diterpene Synthases from Actinomycetes
Descriptor: Sat1646
Authors:Yu, J.H, Xing, B.Y, Ma, M.
Deposit date:2021-02-14
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional characterization and structural bases of two class I diterpene synthases in pimarane-type diterpene biosynthesis
Commun Chem, 4, 2021
7E4N
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BU of 7e4n by Molmil
Crystal structure of Sat1646
Descriptor: MAGNESIUM ION, Sat1646
Authors:Yu, J.H, Xing, B.Y, Ma, M.
Deposit date:2021-02-14
Release date:2021-10-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Functional characterization and structural bases of two class I diterpene synthases in pimarane-type diterpene biosynthesis
Commun Chem, 4, 2021
6ZYO
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BU of 6zyo by Molmil
Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine D-syn-1b
Descriptor: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-02
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYR
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BU of 6zyr by Molmil
Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b
Descriptor: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-02
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
5LCQ
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BU of 5lcq by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative (Ligand 05)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.423 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCR
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BU of 5lcr by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.565 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published

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