3ICV
 
 | | Structural Consequences of a Circular Permutation on Lipase B from Candida Antartica | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B | | Authors: | Horton, J.R, Qian, Z, Jia, D, Lutz, S, Cheng, X. | | Deposit date: | 2009-07-18 | | Release date: | 2009-10-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural redesign of lipase B from Candida antarctica by circular permutation and incremental truncation.
J.Mol.Biol., 393, 2009
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4L7R
 | | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0400 | | Descriptor: | N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2013-06-14 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
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4L7U
 | | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0398 | | Descriptor: | Poly [ADP-ribose] polymerase 3, methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2013-06-14 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
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7C1R
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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8CWR
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8CWT
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2BHZ
 | | Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase in complex with maltose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... | | Authors: | Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S. | | Deposit date: | 2005-01-20 | | Release date: | 2005-03-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides
J.Mol.Biol., 347, 2005
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2BHU
 | | Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, MALTOOLIGOSYLTREHALOSE TREHALOHYDROLASE, ... | | Authors: | Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S. | | Deposit date: | 2005-01-18 | | Release date: | 2005-03-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides
J.Mol.Biol., 347, 2005
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3L0A
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1XCD
 | | Dimeric bovine tissue-extracted decorin, crystal form 1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Decorin | | Authors: | Scott, P.G, McEwan, P.A, Dodd, C.M, Bergmann, E.M, Bishop, P.N, Bella, J. | | Deposit date: | 2004-09-01 | | Release date: | 2004-11-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal structure of the dimeric protein core of decorin, the archetypal small leucine-rich repeat proteoglycan
Proc.Natl.Acad.Sci.Usa, 101, 2004
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1XQI
 | | Crystal Structure Analysis of an NDP kinase from Pyrobaculum aerophilum | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nucleoside diphosphate kinase, TRIETHYLENE GLYCOL | | Authors: | Pedelacq, J.D, Waldo, G.S, Cabantous, S, Liong, E.C, Berendzen, J, Terwilliger, T.C. | | Deposit date: | 2004-10-12 | | Release date: | 2005-09-20 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional features of an NDP kinase from the hyperthermophile crenarchaeon Pyrobaculum aerophilum
Protein Sci., 14, 2005
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8DU7
 | | Room-temperature serial synchrotron crystallography (SSX) structure of apo PTP1B | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Ebrahim, A, Sharma, S, Keedy, D.A. | | Deposit date: | 2022-07-27 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Room-temperature serial synchrotron crystallography of the human phosphatase PTP1B.
Acta Crystallogr.,Sect.F, 79, 2023
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5F9X
 | | X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN UPON 24 HOURS OF INCUBATION AT 55 DEGREES | | Descriptor: | Cisplatin, GLYCEROL, Lysozyme C | | Authors: | Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A. | | Deposit date: | 2015-12-10 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
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2CL0
 | | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GppNHp | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GTPASE HRAS, MAGNESIUM ION, ... | | Authors: | Klink, B.U, Goody, R.S, Scheidig, A.J. | | Deposit date: | 2006-04-25 | | Release date: | 2006-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction
Biophys.J., 91, 2006
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5ODQ
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with bromoethanesulfonate. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-bromanylethanesulfonic acid, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-06 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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5ODC
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus at 2.3 A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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1YTK
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7LOG
 | | T4 lysozyme mutant L99A in complex with 3-butylpyridine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-butylpyridine, BETA-MERCAPTOETHANOL, ... | | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | Deposit date: | 2021-02-10 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7CBT
 | | The crystal structure of SARS-CoV-2 main protease in complex with GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | Authors: | Shi, Y, Peng, G. | | Deposit date: | 2020-06-13 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.346 Å) | | Cite: | The preclinical inhibitor GS441524 in combination with GC376 efficaciously inhibited the proliferation of SARS-CoV-2 in the mouse respiratory tract.
Emerg Microbes Infect, 10, 2021
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1YYO
 | | Crystal structure of RNase III mutant E110K from Aquifex aeolicus complexed with double-stranded RNA at 2.9-Angstrom Resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-R(*CP*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*G)-3', Ribonuclease III | | Authors: | Gan, J, Tropea, J.E, Austin, B.P, Court, D.L, Waugh, D.S, Ji, X. | | Deposit date: | 2005-02-25 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Intermediate states of ribonuclease III in complex with double-stranded RNA
Structure, 13, 2005
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1ZA5
 | | Q69H-FeSOD | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, Superoxide dismutase [Fe] | | Authors: | Yikilmaz, E, Rodgers, D.W, Miller, A.F. | | Deposit date: | 2005-04-05 | | Release date: | 2006-03-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crucial Importance of Chemistry in the Structure-Function Link: Manipulating Hydrogen Bonding in Iron-Containing Superoxide Dismutase.
Biochemistry, 45, 2006
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1ZJB
 | | Crystal structure of the trehalulose synthase MutB from Pseudomonas mesoacidophila MX-45 (monoclinic form) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Trehalulose synthase | | Authors: | Ravaud, S, Robert, X, Haser, R, Aghajari, N. | | Deposit date: | 2005-04-28 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Expression, purification, crystallization and preliminary X-ray crystallographic studies of the trehalulose synthase MutB from Pseudomonas mesoacidophila MX-45.
Acta Crystallogr.,Sect.F, 61, 2005
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1B0C
 | | EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZED FROM THIOCYANATE, CHLORIDE OR SULFATE | | Descriptor: | PROTEIN (PANCREATIC TRYPSIN INHIBITOR) | | Authors: | Hamiaux, C, Prange, T, Ries-Kautt, M, Ducruix, A, Lafont, S, Astier, J.P, Veesler, S. | | Deposit date: | 1998-11-06 | | Release date: | 1998-11-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The BPTI decamer observed in acidic pH crystal forms pre-exists as a stable species in solution.
J.Mol.Biol., 297, 2000
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5F9U
 | | X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN UPON 24 HOURS OF INCUBATION AT 20 DEGREES | | Descriptor: | Cisplatin, GLYCEROL, Lysozyme C | | Authors: | Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A. | | Deposit date: | 2015-12-10 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
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5FCP
 | | X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN AT LONG INCUBATION TIMES | | Descriptor: | CHLORIDE ION, Cisplatin, GLYCEROL, ... | | Authors: | Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A. | | Deposit date: | 2015-12-15 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
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