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2ARD
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BU of 2ard by Molmil
The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, tryptophan halogenase PrnA
Authors:Dong, C, Flecks, S, Unversucht, S, Haupt, C, Van Pee, K.H, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF)
Deposit date:2005-08-19
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
Science, 309, 2005
3WEW
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BU of 3wew by Molmil
Crystal structure of HtdX (Rv0241c) of Mycobacterium tuberculosis at 2.4 A resolution
Descriptor: HtdX dehydratase, MAGNESIUM ION
Authors:Biswas, R, Dutta, D, Das, A.K.
Deposit date:2013-07-16
Release date:2014-07-16
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and molecular dynamics simulation of Mycobacterium tuberculosis MaoC-like dehydratase HtdX provide insights into substrate binding and membrane interactions.
Biochim Biophys Acta Proteins Proteom, 1873, 2025
2D0S
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BU of 2d0s by Molmil
Crystal structure of the Cytochrome C552 from moderate thermophilic bacterium, hydrogenophilus thermoluteolus
Descriptor: HEME C, cytochrome c
Authors:Nakamura, S, Ichiki, S.I, Takashima, H, Uchiyama, S, Hasegawa, J, Kobayashi, Y, Sambongi, Y, Ohkubo, T.
Deposit date:2005-08-08
Release date:2006-05-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Cytochrome c552 from a Moderate Thermophilic Bacterium, Hydrogenophilus thermoluteolus: Comparative Study on the Thermostability of Cytochrome c
Biochemistry, 45, 2006
2CZ3
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BU of 2cz3 by Molmil
Crystal structure of glutathione transferase zeta 1-1 (maleylacetoacetate isomerase) from Mus musculus (form-2 crystal)
Descriptor: Maleylacetoacetate isomerase
Authors:Mizohata, E, Morita, S, Kinoshita, Y, Nagano, K, Uda, H, Uchikubo, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-07-10
Release date:2006-01-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of glutathione transferase zeta 1-1 (maleylacetoacetate isomerase) from Mus musculus (form-2 crystal)
To be Published
2HLY
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BU of 2hly by Molmil
The crystal structure of genomics APC5867
Descriptor: Hypothetical protein Atu2299
Authors:Dong, A, Xu, X, Zheng, H, Kim, Y, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-07-10
Release date:2006-07-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of genomics APC5867
TO BE PUBLISHED
5XRF
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BU of 5xrf by Molmil
Crystal structure of Da-36, a thrombin-like enzyme from Deinagkistrodon acutus
Descriptor: DI(HYDROXYETHYL)ETHER, Snake venom serine protease Da-36, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, C.-C, Wu, W.-G, Fan, Q, Tian, J, Zhang, Z, Zheng, Y.
Deposit date:2017-06-08
Release date:2018-06-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Da-36, a thrombin-like enzyme from Deinagkistrodon acutus
To Be Published
5X3M
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BU of 5x3m by Molmil
crystal structure of p-Ub-S65-NH2
Descriptor: D-ubiquitin, Polyubiquitin-B
Authors:Man, P, Shuai, G, Qian, Q, Lei, L.
Deposit date:2017-02-06
Release date:2017-04-05
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (1.818 Å)
Cite:Structure of p-Ub-S65-NH2 at 1.82 Angstroms resolution
To Be Published
4PNU
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BU of 4pnu by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((R)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4PO1
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BU of 4po1 by Molmil
Mycobacterium tuberculosis RecA glycerol bound room temperature structure IIC-RT
Descriptor: GLYCEROL, Protein RecA
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-02-23
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
5XPX
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BU of 5xpx by Molmil
Structure elucidation of truncated AMS3 lipase from an Antarctic Pseudomonas
Descriptor: CALCIUM ION, Lipase, ZINC ION
Authors:Rahman, R.N.Z.R.A, Latip, W.
Deposit date:2017-06-05
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structure elucidation of truncated AMS3 lipase from an Antarctic Pseudomonas
To Be Published
5XC6
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BU of 5xc6 by Molmil
Dengue Virus 4 NS3 Helicase in complex with SSRNA SLA12
Descriptor: NS3 Helicase, PHOSPHATE ION, RNA (5'-R(*AP*GP*UP*UP*GP*UP*UP*AP*GP*UP*CP*U)-3')
Authors:Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G.
Deposit date:2017-03-22
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication
Nucleic Acids Res., 45, 2017
4PM0
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BU of 4pm0 by Molmil
PDE7A catalytic domain in complex with 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivative
Descriptor: 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ...
Authors:Kawai, K, Endo, Y, Asano, T, Amano, S, Sawada, K, Ueo, N, Takahashi, N, Sonoda, Y, Kamei, N, Nagata, N.
Deposit date:2014-05-20
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one Derivatives as a New Series of Potent Phosphodiesterase 7 Inhibitors.
J.Med.Chem., 57, 2014
4MGV
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BU of 4mgv by Molmil
Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 In complex with inhibitor D5
Descriptor: 70 kDa peptidylprolyl isomerase, putative, N'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide
Authors:Rajan, S, Harikishore, A, Yoon, H.S.
Deposit date:2013-08-29
Release date:2013-12-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Adamantyl derivative as a potent inhibitor of Plasmodium FK506 binding protein 35.
Acs Med.Chem.Lett., 4, 2013
7RNS
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BU of 7rns by Molmil
nSH2 domain of p85-alpha subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
Descriptor: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2021-07-29
Release date:2021-08-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
6P1T
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BU of 6p1t by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound CMPCPP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
8ULE
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BU of 8ule by Molmil
The structure of NanH in complex with Neu5,9Ac
Descriptor: 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Sialidase
Authors:Medley, B.J, Boraston, A.B.
Deposit date:2023-10-16
Release date:2024-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A "terminal" case of glycan catabolism: Structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 300, 2024
7RNV
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BU of 7rnv by Molmil
SH2 domain of guanine nucleotide exchange factor Vav2 in complex with an actin peptide with phosphorylated tyrosine 53
Descriptor: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2021-07-29
Release date:2021-08-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
6PAE
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BU of 6pae by Molmil
Dickeya chrysanthemi complex with L-Asp at pH 5.6
Descriptor: 1,2-ETHANEDIOL, ASPARTIC ACID, GLYCEROL, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
6P1W
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BU of 6p1w by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing undamaged template dG and bound incoming CMPCPP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
7S4B
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BU of 7s4b by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724963
Descriptor: (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-09-08
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
4LZ7
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BU of 4lz7 by Molmil
Crystal structures of GLuR2 ligand-binding-domain in complex with glutamate and positive allosteric modulators
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, N-({(5S)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide, ...
Authors:Pandit, J.
Deposit date:2013-07-31
Release date:2013-12-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Characterization of a Novel Dihydroisoxazole Class of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators.
J.Med.Chem., 56, 2013
7S3S
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BU of 7s3s by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724813
Descriptor: 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-09-08
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
7S3K
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BU of 7s3k by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530718726
Descriptor: 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-09-07
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
5XC7
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BU of 5xc7 by Molmil
Dengue Virus 4 NS3 Helicase D290A mutant
Descriptor: CHLORIDE ION, GLYCEROL, NS3 Helicase
Authors:Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G.
Deposit date:2017-03-22
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication
Nucleic Acids Res., 45, 2017
5XLF
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BU of 5xlf by Molmil
Crystal structure of aerobically purified and aerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y.
Deposit date:2017-05-10
Release date:2018-06-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2.
J. Inorg. Biochem., 177, 2017

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