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6DXQ
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BU of 6dxq by Molmil
Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate
Descriptor: (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2018-06-29
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
2YLK
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BU of 2ylk by Molmil
Carbohydrate-binding module CBM3b from the cellulosomal cellobiohydrolase 9A from Clostridium thermocellum
Descriptor: CELLULOSE 1,4-BETA-CELLOBIOSIDASE
Authors:Yaniv, O, Petkun, S, Shimon, L.J.W, Bayer, E.A, Lamed, R, Frolow, F.
Deposit date:2011-06-02
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Single Mutation Reforms the Binding Activity of an Adhesion-Deficient Family 3 Carbohydrate-Binding Module
Acta Crystallogr.,Sect.D, 68, 2012
2YN8
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BU of 2yn8 by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, STAUROSPORINE
Authors:Read, J, Brassington, C.A, Overmann, R.
Deposit date:2012-10-13
Release date:2013-10-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Stability and Solubility Engineering of the Ephb4 Tyrosine Kinase Catalytic Domain Using a Rationally Designed Synthetic Library.
Protein Eng.Des.Sel., 26, 2013
2Z26
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BU of 2z26 by Molmil
Thr110Ala dihydroorotase from E. coli
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, MALONATE ION, ...
Authors:Lee, M, Maher, M.J, Guss, J.M.
Deposit date:2007-05-17
Release date:2007-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
2Z28
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BU of 2z28 by Molmil
Thr109Val dihydroorotase from E. coli
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ...
Authors:Lee, M, Maher, M.J, Guss, J.M.
Deposit date:2007-05-17
Release date:2007-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
2Z24
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BU of 2z24 by Molmil
Thr110Ser dihydroorotase from E. coli
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ...
Authors:Lee, M, Maher, M.J, Guss, J.M.
Deposit date:2007-05-17
Release date:2007-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
8RD6
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BU of 8rd6 by Molmil
the C-terminal domain of TonB protein from Salmonella enterica.
Descriptor: Protein TonB
Authors:Iwai, H, Ciragan, A, Oeemig, J.S.
Deposit date:2023-12-07
Release date:2024-01-17
Method:SOLUTION NMR
Cite:The 100-protein NMR spectra dataset: A resource for biomolecular NMR data analysis.
Sci Data, 11, 2024
6DXS
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BU of 6dxs by Molmil
Crystal structure of the LigJ hydratase E284Q mutant substrate complex with (3Z)-2-keto-4-carboxy-3-hexenedioate
Descriptor: (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION
Authors:Mabanglo, M.F, Raushel, F.M, Hogancamp, T.N.
Deposit date:2018-06-29
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
9CPM
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BU of 9cpm by Molmil
Thermus thermophilus HB27 laccase (Tth-Lac) mutant with partial deletion of beta-hairpin sequence
Descriptor: COPPER (II) ION, GLYCEROL, Laccase
Authors:Lee, J, Miranda-Zaragoza, B, Rodriguez-Almazan, C, Strynadka, N.C.J.
Deposit date:2024-07-18
Release date:2025-02-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Function Relationship of the beta-Hairpin of Thermus thermophilus HB27 Laccase.
Int J Mol Sci, 26, 2025
8HIT
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BU of 8hit by Molmil
Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4
Descriptor: Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL
Authors:Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J.
Deposit date:2022-11-21
Release date:2023-02-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer.
Mabs, 15, 2023
6SZ6
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BU of 6sz6 by Molmil
Chaetomium thermophilum beta-glucosidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, ...
Authors:Mohsin, I, Poudel, N, Papageorgiou, A.C.
Deposit date:2019-10-02
Release date:2019-12-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.988 Å)
Cite:Crystal Structure of a GH3 beta-Glucosidase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 20, 2019
6TDB
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BU of 6tdb by Molmil
Neuropilin2-b1 domain in a complex with the C-terminal VEGFB167 peptide
Descriptor: 1,2-ETHANEDIOL, ACETYL GROUP, C-terminal VEGFB167 peptide, ...
Authors:Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S.
Deposit date:2019-11-08
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:NRP2-b1 domain in a complex with the C-terminal VEGFB167 peptide
To Be Published
8HFD
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BU of 8hfd by Molmil
Crystal structure of allantoinase from E. coli BL21
Descriptor: Allantoinase, DI(HYDROXYETHYL)ETHER, ZINC ION
Authors:Lin, E.S, Huang, H.Y, Yang, P.C, Liu, H.W, Huang, C.Y.
Deposit date:2022-11-10
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal Structure of Allantoinase from Escherichia coli BL21: A Molecular Insight into a Role of the Active Site Loops in Catalysis.
Molecules, 28, 2023
9JUR
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BU of 9jur by Molmil
Crystal Structure of NHL domain of human E3 ubiquitin-protein ligase TRIM71
Descriptor: E3 ubiquitin-protein ligase TRIM71, MAGNESIUM ION
Authors:Lv, M.Q, Kazy, E.H.
Deposit date:2024-10-08
Release date:2025-04-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Human tripartite motif-containing protein 71 NCL-1/HT2A/LIN-41 domain crystal structure and its potential natural inhibitors.
Int.J.Biol.Macromol., 309, 2025
2N1O
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BU of 2n1o by Molmil
PIN1 WW domain in complex with a phosphorylated CPEB1 derived peptide
Descriptor: Cytoplasmic polyadenylation element-binding protein 1, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Schelhorn, C, Macias, M, Martin-Malpartida, P.
Deposit date:2015-04-13
Release date:2015-10-28
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structural Analysis of the Pin1-CPEB1 interaction and its potential role in CPEB1 degradation.
Sci Rep, 5, 2015
2MW7
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BU of 2mw7 by Molmil
Solution NMR structure of a novel cysteine framework containing Conus peptide Mo3964
Descriptor: Mo3964
Authors:Sarma, S.P, Kancherla, A.
Deposit date:2014-10-29
Release date:2015-09-23
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:A Disulfide Stabilized beta-Sandwich Defines the Structure of a New Cysteine Framework M-Superfamily Conotoxin
Acs Chem.Biol., 10, 2015
8HID
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BU of 8hid by Molmil
HUMAN ERYTHROCYTE CATALSE COMPLEXED WITH BT-Br
Descriptor: (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol, Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, H.-Y, Yang, G.-F.
Deposit date:2022-11-19
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A catalase inhibitor: Targeting the NADPH-binding site for castration-resistant prostate cancer therapy.
Redox Biol, 63, 2023
1TE7
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BU of 1te7 by Molmil
Solution NMR Structure of Protein yqfB from Escherichia coli. Northeast Structural Genomics Consortium Target ET99
Descriptor: Hypothetical UPF0267 protein yqfB
Authors:Atreya, H.S, Shen, Y, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-05-24
Release date:2005-01-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:G-Matrix Fourier Transform NOESY-Based Protocol for High-Quality Protein Structure Determination
J.Am.Chem.Soc., 127, 2005
1TBO
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BU of 1tbo by Molmil
NMR STRUCTURE OF A PROTEIN KINASE C-G PHORBOL-BINDING DOMAIN, 30 STRUCTURES
Descriptor: PROTEIN KINASE C, GAMMA TYPE, ZINC ION
Authors:Xu, R.X, Pawelczyk, T, Xia, T, Brown, S.C.
Deposit date:1997-04-15
Release date:1998-04-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of a protein kinase C-gamma phorbol-binding domain and study of protein-lipid micelle interactions.
Biochemistry, 36, 1997
6SV3
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BU of 6sv3 by Molmil
Structure of coproheme-LmCpfC
Descriptor: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Ferrochelatase, GLYCEROL
Authors:Hofbauer, S, Helm, J, Djinovic-Carugo, K, Furtmueller, P.G.
Deposit date:2019-09-17
Release date:2019-12-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.64000869 Å)
Cite:Crystal structures and calorimetry reveal catalytically relevant binding mode of coproporphyrin and coproheme in coproporphyrin ferrochelatase.
Febs J., 287, 2020
1TEW
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BU of 1tew by Molmil
STRUCTURE OF HEXAGONAL TURKEY EGG WHITE LYSOZYME AT 1.65 ANGSTROMS RESOLUTION
Descriptor: THIOCYANATE ION, TURKEY EGG WHITE LYSOZYME
Authors:Howell, P.L.
Deposit date:1994-11-17
Release date:1995-01-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of hexagonal turkey egg-white lysozyme at 1.65A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
1TQN
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BU of 1tqn by Molmil
Crystal Structure of Human Microsomal P450 3A4
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 3A4
Authors:Yano, J.K, Wester, M.R, Schoch, G.A, Griffin, K.J, Stout, C.D, Johnson, E.F.
Deposit date:2004-06-17
Release date:2004-07-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Structure of Human Microsomal Cytochrome P450 3A4 Determined by X-ray Crystallography to 2.05-A Resolution
J.Biol.Chem., 279, 2004
2NM3
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BU of 2nm3 by Molmil
Crystal structure of dihydroneopterin aldolase from S. aureus in complex with (1S,2S)-monapterin at 1.68 angstrom resolution
Descriptor: ACETATE ION, D-MONAPTERIN, Dihydroneopterin aldolase
Authors:Blaszczyk, J, Ji, X, Yan, H.
Deposit date:2006-10-20
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural basis for the aldolase and epimerase activities of Staphylococcus aureus dihydroneopterin aldolase.
J.Mol.Biol., 368, 2007
2NM2
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BU of 2nm2 by Molmil
Crystal structure of dihydroneopterin aldolase from S. aureus in complex with (1S,2R)-neopterin at 1.50 Angstrom resolution
Descriptor: Dihydroneopterin aldolase, L-NEOPTERIN
Authors:Blaszczyk, J, Ji, X, Yan, H.
Deposit date:2006-10-20
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the aldolase and epimerase activities of Staphylococcus aureus dihydroneopterin aldolase.
J.Mol.Biol., 368, 2007
1TTO
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BU of 1tto by Molmil
Crystal structure of the Rnase T1 variant R2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RNase T1
Authors:Hahn, U, Czaja, R, Perbandt, M, Betzel, C.
Deposit date:2004-06-23
Release date:2005-09-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Purine activity of RNase T1RV is further improved by substitution of Trp59 by tyrosine
Biochem.Biophys.Res.Commun., 336, 2005

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