1JMO
 
 | | Crystal Structure of the Heparin Cofactor II-S195A Thrombin Complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Baglin, T.P, Carrell, R.W, Esmon, C.T, Huntington, J.A. | | Deposit date: | 2001-07-19 | | Release date: | 2002-08-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of native and thrombin-complexed heparin cofactor II reveal a multistep allosteric mechanism.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1JHK
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4IER
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1JNJ
 | | NMR solution structure of the human beta2-microglobulin | | Descriptor: | beta2-microglobulin | | Authors: | Verdone, G, Corazza, A, Viglino, P, Pettirossi, F, Giorgetti, S, Mangione, P, Andreola, A, Stoppini, M, Bellotti, V, Esposito, G. | | Deposit date: | 2001-07-24 | | Release date: | 2002-02-27 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The solution structure of human beta2-microglobulin reveals the prodromes of its amyloid transition.
Protein Sci., 11, 2002
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6W61
 | | Crystal Structure of the methyltransferase-stimulatory factor complex of NSP16 and NSP10 from SARS CoV-2. | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase, CHLORIDE ION, ... | | Authors: | Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of nsp10-nsp16 heterodimer from SARS-CoV-2 in complex with S-adenosylmethionine
Biorxiv, 2020
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4IEZ
 | | unliganded Cysteine Dioxygenase at pH 8.0 | | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION | | Authors: | Driggers, C.M, Cooley, R.B, Karplus, P.A. | | Deposit date: | 2012-12-13 | | Release date: | 2013-06-26 | | Last modified: | 2013-09-11 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH.
J.Mol.Biol., 425, 2013
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5K0W
 | | Crystal structure of the metallo-beta-lactamase GOB-18 from Elizabethkingia meningoseptica | | Descriptor: | CHLORIDE ION, Class B carbapenemase GOB-18, GLYCEROL, ... | | Authors: | Buschiazzo, A, Larrieux, N, Vila, A.J, Lisa, M.N, Moran-Barrio, J. | | Deposit date: | 2016-05-17 | | Release date: | 2016-08-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal Structure of the Metallo-beta-Lactamase GOB in the Periplasmic Dizinc Form Reveals an Unusual Metal Site.
Antimicrob.Agents Chemother., 60, 2016
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3X0B
 | | Crystal structure of PIP4KIIBETA I368A complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | | Deposit date: | 2014-10-09 | | Release date: | 2015-10-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
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1JIQ
 | | Crystal Structure of Human Autocrine Motility Factor | | Descriptor: | autocrine motility factor | | Authors: | Tanaka, N, Haga, A, Uemura, H, Akiyama, H, Funasaka, T, Nagase, H, Raz, A, Nakamura, K.T. | | Deposit date: | 2001-07-02 | | Release date: | 2002-06-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition mechanism of cytokine activity of human autocrine motility factor examined by crystal structure analyses and site-directed mutagenesis studies.
J.Mol.Biol., 318, 2002
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4UTS
 | | Room temperature crystal structure of the fast switching M159T mutant of fluorescent protein Dronpa | | Descriptor: | FLUORESCENT PROTEIN DRONPA | | Authors: | Kaucikas, M, Fitzpatrick, A, Bryan, E, Struve, A, Henning, R, Kosheleva, I, Srajer, V, van Thor, J.J. | | Deposit date: | 2014-07-22 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Room Temperature Crystal Structure of the Fast Switching M159T Mutant of the Fluorescent Protein Dronpa.
Proteins, 83, 2015
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5CPX
 | | Crystal structure of murine polyomavirus PTA strain VP1 in complex with the DSLNT glycan | | Descriptor: | GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Buch, M.H.C, Liaci, A.M, Neu, U, Stehle, T. | | Deposit date: | 2015-07-21 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural and Functional Analysis of Murine Polyomavirus Capsid Proteins Establish the Determinants of Ligand Recognition and Pathogenicity.
Plos Pathog., 11, 2015
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3X0C
 | | Crystal structure of PIP4KIIBETA I368A complex with GMP | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | | Deposit date: | 2014-10-09 | | Release date: | 2015-10-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
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5CRD
 | | Wild-type human skeletal calsequestrin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calsequestrin-1 | | Authors: | Lewis, K.M, Ronish, L.A, Kang, C. | | Deposit date: | 2015-07-22 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Characterization of Two Human Skeletal Calsequestrin Mutants Implicated in Malignant Hyperthermia and Vacuolar Aggregate Myopathy.
J.Biol.Chem., 290, 2015
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3ZCG
 | | Ascorbate peroxidase W41A-H42C mutant | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASCORBATE PEROXIDASE, POTASSIUM ION, ... | | Authors: | Gumiero, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2012-11-20 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.491 Å) | | Cite: | Probing the Conformational Mobility of the Active Site of a Heme Peroxidase.
Dalton Trans, 42, 2013
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7APS
 | | The Fk1 domain of FKBP51 in complex with (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid | | Descriptor: | (2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | | Deposit date: | 2020-10-19 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
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2VXI
 | | The binding of heme and zinc in Escherichia coli Bacterioferritin | | Descriptor: | BACTERIOFERRITIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Willies, S.C, Isupov, M.N, Garman, E.F, Littlechild, J.A. | | Deposit date: | 2008-07-04 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | The Binding of Haem and Zinc in the 1.9 A X-Ray Structure of Escherichia Coli Bacterioferritin.
J.Biol.Inorg.Chem., 14, 2009
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1JNS
 | | NMR Structure of the E. coli Peptidyl-Prolyl cis/trans-Isomerase Parvulin 10 | | Descriptor: | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE C | | Authors: | Kuehlewein, A, Voll, G, Schelbert, B, Kessler, H, Fischer, G, Rahfeld, J.U, Gemmecker, G. | | Deposit date: | 2001-07-25 | | Release date: | 2003-06-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Escherichia coli Par10: The prototypic member of the Parvulin family of peptidyl-prolyl cis/trans isomerases.
Protein Sci., 13, 2004
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2VV8
 | | Co-bound structure of bjFixLH | | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ayers, R.A, Moffat, K. | | Deposit date: | 2008-06-04 | | Release date: | 2008-11-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Changes in Quaternary Structure in the Signaling Mechanisms of Pas Domains.
Biochemistry, 47, 2008
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7TDB
 | | Crystal structure of the E. coli thiM riboswitch in complex with thiamine bisphosphonate, manganese ions | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid, ... | | Authors: | Nuthanakanti, A, Serganov, A. | | Deposit date: | 2021-12-30 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Subsite Ligand Recognition and Cooperativity in the TPP Riboswitch: Implications for Fragment-Linking in RNA Ligand Discovery.
Acs Chem.Biol., 17, 2022
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7APT
 | | The Fk1 domain of FKBP51 in complex with ((1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)acetic acid | | Descriptor: | 2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | | Deposit date: | 2020-10-19 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.131 Å) | | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
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7APQ
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | | Deposit date: | 2020-10-19 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
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7TD7
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4IEO
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7TDC
 | | Crystal structure of the E. coli thiM riboswitch in complex with thiamine bisphosphonate, calcium ions | | Descriptor: | CALCIUM ION, MAGNESIUM ION, [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid, ... | | Authors: | Nuthanakanti, A, Serganov, A. | | Deposit date: | 2021-12-30 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Subsite Ligand Recognition and Cooperativity in the TPP Riboswitch: Implications for Fragment-Linking in RNA Ligand Discovery.
Acs Chem.Biol., 17, 2022
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7TDA
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