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PDB: 2903 results

6RSD
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Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
Descriptor: 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
Authors:Brown, D.G, Lupardus, P.J.
Deposit date:2019-05-21
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
4GWP
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BU of 4gwp by Molmil
Structure of the Mediator Head Module from S. cerevisiae
Descriptor: Mediator of RNA polymerase II transcription subunit 11, Mediator of RNA polymerase II transcription subunit 17, Mediator of RNA polymerase II transcription subunit 18, ...
Authors:Robinson, P.J.J, Bushnell, D.A, Trnka, M.J, Burlingame, A.L, Kornberg, R.D.
Deposit date:2012-09-03
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structure of the Mediator Head module bound to the carboxy-terminal domain of RNA polymerase II.
Proc.Natl.Acad.Sci.USA, 109, 2012
2GWF
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Structure of a USP8-NRDP1 complex
Descriptor: RING finger protein 41, Ubiquitin carboxyl-terminal hydrolase 8
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-05-04
Release date:2006-06-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
6MN5
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BU of 6mn5 by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with gentamicin C1A
Descriptor: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
Authors:Stogios, P.J, Evdokimova, E, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
6MP5
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BU of 6mp5 by Molmil
Crystal structure of native human sulfide:quinone oxidoreductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Sulfide:quinone oxidoreductase, mitochondrial
Authors:Jackson, M.R, Jorns, M.S, Loll, P.J.
Deposit date:2018-10-05
Release date:2019-04-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:X-Ray Structure of Human Sulfide:Quinone Oxidoreductase: Insights into the Mechanism of Mitochondrial Hydrogen Sulfide Oxidation.
Structure, 27, 2019
4LEC
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BU of 4lec by Molmil
Human Methyltransferase-Like Protein 21A
Descriptor: Protein-lysine methyltransferase METTL21A, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:Dong, A, Zeng, H, Fenner, M, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2013-06-25
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:The Crystal Structure of Human Methyltransferase-Like Protein 21A in Complex with SAH
To be Published
6MMZ
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BU of 6mmz by Molmil
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H29A mutant apoenzyme
Descriptor: Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, SULFATE ION
Authors:Stogios, P.J, Skarina, T, Xu, Z, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
6MGL
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BU of 6mgl by Molmil
Crystal structure of the catalytic domain from GH74 enzyme PoGH74 from Paenibacillus odorifer, D60A mutant in complex with XXLG and XGXXLG xyloglucan
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Stogios, P.J, Skarina, T, Arnal, G, Watanabe, N, Brumer, H, Savchenko, A.
Deposit date:2018-09-14
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural enzymology reveals the molecular basis of substrate regiospecificity and processivity of an exemplar bacterial glycoside hydrolase family 74endo-xyloglucanase.
Biochem. J., 475, 2018
6MGJ
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BU of 6mgj by Molmil
Crystal structure of the catalytic domain from GH74 enzyme PoGH74 from Paenibacillus odorifer, apoenzyme
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Stogios, P.J, Skarina, T, Nocek, B, Arnal, G, Brumer, H, Savchenko, A.
Deposit date:2018-09-14
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural enzymology reveals the molecular basis of substrate regiospecificity and processivity of an exemplar bacterial glycoside hydrolase family 74endo-xyloglucanase.
Biochem. J., 475, 2018
2GJ7
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BU of 2gj7 by Molmil
Crystal Structure of a gE-gI/Fc complex
Descriptor: Glycoprotein E, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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:Sprague, E.R, Wang, C, Baker, D, Bjorkman, P.J.
Deposit date:2006-03-30
Release date:2006-05-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (5 Å)
Cite:Crystal Structure of the HSV-1 Fc Receptor Bound to Fc Reveals a Mechanism for Antibody Bipolar Bridging.
Plos Biol., 4, 2006
6MJD
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BU of 6mjd by Molmil
NMR Solution structure of GIIIC
Descriptor: ARG-ASP-CYS-CYS-THR-HYP-HYP-LYS-LYS-CYS-LYS-ASP-ARG-ARG-CYS-LYS-HYP-LEU-LYS-CYS-CYS-ALA-NH2
Authors:Harvey, P.J, Durek, T, Craik, D.J.
Deposit date:2018-09-20
Release date:2018-11-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR Structure of mu-Conotoxin GIIIC: Leucine 18 Induces Local Repacking of the N-Terminus Resulting in Reduced NaVChannel Potency.
Molecules, 23, 2018
6MN4
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BU of 6mn4 by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with apramycin
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, APRAMYCIN, ...
Authors:Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
7PDO
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BU of 7pdo by Molmil
Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with UDP
Descriptor: CHLORIDE ION, Glucosyl-3-phosphoglycerate synthase, URIDINE-5'-DIPHOSPHATE
Authors:Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S.
Deposit date:2021-08-05
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with UDP
To Be Published
7PE4
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BU of 7pe4 by Molmil
Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with UDP-glucose
Descriptor: BICARBONATE ION, CHLORIDE ION, Glucosyl-3-phosphoglycerate synthase, ...
Authors:Silva, A, Barbosa Pereira, P.J, Macedo-Ribeiro, S.
Deposit date:2021-08-09
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with UDP-glucose
To Be Published
7PHO
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BU of 7pho by Molmil
Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde
Descriptor: BICARBONATE ION, D-MALATE, GLYCEROL, ...
Authors:Nunes-Costa, D, Silva, A, Barbosa Pereira, P.J, Macedo-Ribeiro, S.
Deposit date:2021-08-17
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde
To Be Published
6MSW
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BU of 6msw by Molmil
Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans, K184L mutant
Descriptor: Deoxyribose-phosphate aldolase, GLYCEROL
Authors:Stogios, P.J, Skarina, T, Kim, T, Yim, V, Yakunin, A, Savchenko, A.
Deposit date:2018-10-18
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.169 Å)
Cite:Rational engineering of 2-deoxyribose-5-phosphate aldolases for the biosynthesis of (R)-1,3-butanediol.
J.Biol.Chem., 295, 2020
7PVL
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BU of 7pvl by Molmil
Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 - apo form
Descriptor: CHLORIDE ION, Glucosyl-3-phosphoglycerate synthase, MAGNESIUM ION
Authors:Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S.
Deposit date:2021-10-04
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 - apo form
To Be Published
1RNC
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BU of 1rnc by Molmil
NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION
Authors:Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A.
Deposit date:1991-10-21
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Newly observed binding mode in pancreatic ribonuclease.
J.Mol.Biol., 224, 1992
1X0O
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BU of 1x0o by Molmil
human ARNT C-terminal PAS domain
Descriptor: Aryl hydrocarbon receptor nuclear translocator
Authors:Card, P.B, Erbel, P.J, Gardner, K.H.
Deposit date:2005-03-25
Release date:2005-10-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural Basis of ARNT PAS-B Dimerization: Use of a Common Beta-sheet Interface for Hetero- and Homodimerization.
J.Mol.Biol., 353, 2005
6MGK
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BU of 6mgk by Molmil
Crystal structure of the catalytic domain from GH74 enzyme PoGH74 from Paenibacillus odorifer, in complex with XLX xyloglucan
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Stogios, P.J, Skarina, T, Nocek, B, Arnal, G, Brumer, H, Savchenko, A.
Deposit date:2018-09-14
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural enzymology reveals the molecular basis of substrate regiospecificity and processivity of an exemplar bacterial glycoside hydrolase family 74endo-xyloglucanase.
Biochem. J., 475, 2018
6MIJ
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BU of 6mij by Molmil
Crystal structure of EF-Tu from Acinetobacter baumannii in complex with Mg2+ and GDP
Descriptor: Elongation factor Tu, FORMIC ACID, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Stogios, P.J, Evdokimova, E, Tan, K, Di Leo, R, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-09-19
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.955 Å)
Cite:To be published
To Be Published
6MN1
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Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in abortive complex with gentamicin-CoA
Descriptor: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Aminoglycoside N(3)-acetyltransferase, ...
Authors:Stogios, P.J, Skarina, T, Michalska, K, Xu, Z, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in abortive complex with gentamicin-CoA
To Be Published
6MN3
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BU of 6mn3 by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, apoenzyme
Descriptor: Aminoglycoside N(3)-acetyltransferase, AAC(3)-IVa, CHLORIDE ION, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
1XEE
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BU of 1xee by Molmil
Solution structure of the Chemotaxis Inhibitory Protein of Staphylococcus aureus
Descriptor: chemotaxis-inhibiting protein CHIPS
Authors:Haas, P.J, de Haas, C.J, Poppelier, M.J, van Kessel, K.P, van Strijp, J.A, Dijkstra, K, Scheek, R.M, Fan, H, Kruijtzer, J.A, Liskamp, R.M, Kemmink, J.
Deposit date:2004-09-10
Release date:2005-09-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The structure of the C5a receptor-blocking domain of chemotaxis inhibitory protein of Staphylococcus aureus is related to a group of immune evasive molecules
J.Mol.Biol., 353, 2005
1X9N
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BU of 1x9n by Molmil
Crystal Structure of Human DNA Ligase I bound to 5'-adenylated, nicked DNA
Descriptor: 5'-phosphorylated DNA, ADENOSINE MONOPHOSPHATE, DNA ligase I, ...
Authors:Pascal, J.M, O'Brien, P.J, Tomkinson, A.E, Ellenberger, T.
Deposit date:2004-08-23
Release date:2004-11-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human DNA ligase I completely encircles and partially unwinds nicked DNA.
Nature, 432, 2004

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