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4L99
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BU of 4l99 by Molmil
Structure of the RBP from lactococcal phage 1358 in complex with glycerol
Descriptor: GLYCEROL, Receptor Binding Protein, ZINC ION
Authors:Farenc, C, Spinelli, S, Bebeacua, C, Tremblay, D, Orlov, I, Blangy, S, Klaholz, B.P, Moineau, S, Cambillau, C.
Deposit date:2013-06-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Virulent Siphophage CyoEM Structure and Host Recognition and Infection Mechanism
To be Published
4L92
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BU of 4l92 by Molmil
Structure of the RBP from lactococcal phage 1358 in complex with 2 GlcNAc molecules
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor Binding Protein, ...
Authors:Farenc, C, Spinelli, S, Bebeacua, C, Tremblay, D, Orlov, I, Blangy, S, Klaholz, B.P, Moineau, S, Cambillau, C.
Deposit date:2013-06-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Virulent Siphophage CyoEM Structure and Host Recognition and Infection Mechanism
To be Published
4L9B
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BU of 4l9b by Molmil
Structure of native RBP from lactococcal phage 1358 (CsI derivative)
Descriptor: CESIUM ION, Receptor Binding Protein
Authors:Farenc, C, Spinelli, S, Bebeacua, C, Tremblay, D, Orlov, I, Blangy, S, Klaholz, B.P, Moineau, S, Cambillau, C.
Deposit date:2013-06-18
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Virulent Siphophage CyoEM Structure and Host Recognition and Infection Mechanism
To be Published
4KYB
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BU of 4kyb by Molmil
Crystal Structure of de novo designed serine hydrolase OSH55.14_E3, Northeast Structural Genomics Consortium Target OR342
Descriptor: Designed Protein OR342, PHOSPHATE ION
Authors:Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Lee, D, Raja, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-05-28
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.909 Å)
Cite:Northeast Structural Genomics Consortium Target OR342
To be Published
4L97
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BU of 4l97 by Molmil
Structure of the RBP of lactococcal phage 1358 in complex with glucose-1-phosphate
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, Receptor Binding Protein
Authors:Farenc, C, Spinelli, S, Bebeacua, C, Tremblay, D, Orlov, I, Blangy, S, Klaholz, B.P, Moineau, S, Cambillau, C.
Deposit date:2013-06-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:A Virulent Siphophage CyoEM Structure and Host Recognition and Infection Mechanism
To be Published
3HG0
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BU of 3hg0 by Molmil
Crystal structure of a DARPin in complex with ORF49 from Lactococcal phage TP901-1
Descriptor: Baseplate protein, Designed Ankyrin Repeat Protein (DARPin) 20
Authors:Veesler, D, Dreier, B, Blangy, S, Lichiere, J, Tremblay, D, Moineau, S, Spinelli, S, Tegoni, M, Pluckthun, A, Campanacci, V, Cambillau, C.
Deposit date:2009-05-13
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and function of a DARPin neutralizing inhibitor of lactococcal phage TP901-1: comparison of DARPin and camelid VHH binding mode.
J.Biol.Chem., 284, 2009
4J4Z
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BU of 4j4z by Molmil
Crystal structure of the improved variant of the evolved serine hydrolase, OSH55.4_H1.2, bond with sulfate ion in the active site, Northeast Structural Genomics Consortium (NESG) Target OR301
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Designed serine hydrolase variant OSH55.4_H1.2, ...
Authors:Kuzin, A.P, Lew, S, Rajagopalan, S, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-02-07
Release date:2013-03-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structure of the improved variant of the evolved serine hydrolase, OSH55.4_H1.2, bond with sulfate ion in the active site, Northeast Structural Genomics Consortium (NESG) Target OR301
To be Published
6XUH
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BU of 6xuh by Molmil
Crystal structure of human phosphoglucose isomerase in complex with inhibitor
Descriptor: (2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate, 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase
Authors:Li de la Sierra-Gallay, I, Ahmad, L, Plancqueel, S, van Tilbeurgh, H, Salmon, L.
Deposit date:2020-01-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Novel N-substituted 5-phosphate-d-arabinonamide derivatives as strong inhibitors of phosphoglucose isomerases: Synthesis, structure-activity relationship and crystallographic studies.
Bioorg.Chem., 102, 2020
4L0J
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BU of 4l0j by Molmil
Structure of a translocation signal domain mediating conjugative transfer by type IV secretion systems
Descriptor: DNA helicase I, MAGNESIUM ION, SULFATE ION
Authors:Redzej, A, Ilangovan, A, Lang, S, Gruber, C.J, Topf, M, Zangger, K, Zechner, E.L, Waksman, G.
Deposit date:2013-05-31
Release date:2013-06-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a translocation signal domain mediating conjugative transfer by type IV secretion systems.
Mol.Microbiol., 89, 2013
7R7P
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BU of 7r7p by Molmil
Immature HIV-1 CACTD-SP1 lattice with Bevirimat (BVM) and Inositol hexakisphosphate (IP6)
Descriptor: 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T.
Deposit date:2021-06-25
Release date:2023-02-15
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023
7R7Q
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BU of 7r7q by Molmil
Immature HIV-1 CACTD-SP1 lattice with Inositol hexakisphosphate (IP6)
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T.
Deposit date:2021-06-25
Release date:2023-02-15
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023
6XUI
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BU of 6xui by Molmil
Crystal structure of human phosphoglucose isomerase in complex with inhibitor
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-PHOSPHOARABINONIC ACID, GLYCEROL, ...
Authors:Li de la Sierra-Gallay, I, Ahmad, L, Plancqueel, S, van Tilbeurgh, H, Salmon, L.
Deposit date:2020-01-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel N-substituted 5-phosphate-d-arabinonamide derivatives as strong inhibitors of phosphoglucose isomerases: Synthesis, structure-activity relationship and crystallographic studies.
Bioorg.Chem., 102, 2020
4JBC
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BU of 4jbc by Molmil
Crystal Structure of the computationally designed serine hydrolase 3mmj_2, Northeast Structural Genomics Consortium (NESG) Target OR318
Descriptor: PHOSPHATE ION, designed serine hydrolase 3mmj_2
Authors:Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Baker, D, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-02-19
Release date:2013-03-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Crystal Structure of the computationally designed serine hydrolase 3mmj_2, Northeast Structural Genomics Consortium (NESG) Target OR318
To be Published
4JGK
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BU of 4jgk by Molmil
Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275
Descriptor: evolved variant of a designed serine hydrolase
Authors:Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-03-01
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.883 Å)
Cite:Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275
To be Published
4K0C
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BU of 4k0c by Molmil
Crystal Structure of the computationally designed serine hydrolase. Northeast Structural Genomics Consortium (NESG) Target OR317
Descriptor: designed serine hydrolase
Authors:Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-04-03
Release date:2013-04-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Northeast Structural Genomics Consortium Target OR317
To be Published
4W66
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BU of 4w66 by Molmil
Crystal structure of Glutathione S-transferase domain protein from Haliangium ochraceum DSM 14365
Descriptor: GLUTATHIONE, Glutathione S-transferase domain protein
Authors:Chang, C, Chhor, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-08-20
Release date:2014-09-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal structure of Glutathione S-transferase domain protein from Haliangium ochraceum DSM 14365
To Be Published
4UQY
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BU of 4uqy by Molmil
Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes
Descriptor: HSIB1, HSIE1
Authors:Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A.
Deposit date:2014-06-25
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes.
J.Biol.Chem., 289, 2014
2OTD
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BU of 2otd by Molmil
The crystal structure of the glycerophosphodiester phosphodiesterase from Shigella flexneri 2a
Descriptor: Glycerophosphodiester phosphodiesterase, PHOSPHATE ION
Authors:Zhang, R, Wu, R, Clancy, S, Jiang, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-02-07
Release date:2007-03-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of the glycerophosphodiester phosphodiesterase from Shigella flexneri 2a
To be Published
4WER
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BU of 4wer by Molmil
Crystal structure of diacylglycerol kinase catalytic domain protein from Enterococcus faecalis V583
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Diacylglycerol kinase catalytic domain protein
Authors:Chang, C, Clancy, S, Hatzos-Skintges, C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-10
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of diacylglycerol kinase catalytic domain protein from Enterococcus faecalis V583
To Be Published
1ZRU
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BU of 1zru by Molmil
structure of the lactophage p2 receptor binding protein in complex with glycerol
Descriptor: GLYCEROL, lactophage p2 receptor binding protein
Authors:Spinelli, S, Tremblay, D.M, Tegoni, M, Blangy, S, Huyghe, C, Desmyter, A, Labrie, S, de Haard, H, Moineau, S, Cambillau, C, Structural Proteomics in Europe (SPINE)
Deposit date:2005-05-22
Release date:2006-03-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Receptor-binding protein of Lactococcus lactis phages: identification and characterization of the saccharide receptor-binding site.
J.Bacteriol., 188, 2006
2R2A
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BU of 2r2a by Molmil
Crystal structure of N-terminal domain of zonular occludens toxin from Neisseria meningitidis
Descriptor: SULFATE ION, Uncharacterized protein
Authors:Osipiuk, J, Patterson, S, Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-08-24
Release date:2007-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of N-terminal domain of zonular occludens toxin from Neisseria meningitidis.
To be Published
4Y0D
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BU of 4y0d by Molmil
Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
Descriptor: (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
Authors:Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L.
Deposit date:2015-02-05
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
J. Am. Chem. Soc., 2015
4XLT
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BU of 4xlt by Molmil
Crystal structure of response regulator receiver protein from Dyadobacter fermentans DSM 18053
Descriptor: Response regulator receiver protein
Authors:Chang, C, Cuff, M, Holowicki, J, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-01-13
Release date:2015-01-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of response regulator receiver protein from Dyadobacter fermentans DSM 18053
To Be Published
4Y0H
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BU of 4y0h by Molmil
Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
Descriptor: 4-aminobutyrate aminotransferase, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L.
Deposit date:2015-02-06
Release date:2015-03-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
J. Am. Chem. Soc., 2015
5EH0
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BU of 5eh0 by Molmil
Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
Descriptor: DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, N2-(2-Methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
Authors:Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S.
Deposit date:2015-10-27
Release date:2016-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016

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