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7KXR
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BU of 7kxr by Molmil
Protective antigen pore translocating lethal factor N-terminal domain
Descriptor: CALCIUM ION, Lethal factor, Protective antigen
Authors:Machen, A.J, Freudenthal, B.D.
Deposit date:2020-12-04
Release date:2021-07-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Anthrax toxin translocation complex reveals insight into the lethal factor unfolding and refolding mechanism.
Sci Rep, 11, 2021
6IEO
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BU of 6ieo by Molmil
Crystal structure of Mycobacterium tuberculosis HtrA1 (Rv1223) in regulated conformation
Descriptor: Probable serine protease HtrA (DEGP protein), phenylmethanesulfonic acid
Authors:Gupta, A.K, Gopal, B.
Deposit date:2018-09-14
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The crystal structure of Mycobacterium tuberculosis high-temperature requirement A protein reveals an autoregulatory mechanism.
Acta Crystallogr F Struct Biol Commun, 74, 2018
2KSW
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BU of 2ksw by Molmil
Backbone 1H, 13C, and 15N Chemical Shift Assignments for Oryctin
Descriptor: Oryctin
Authors:Horita, S, Ishibashi, J, Nagata, K, Miyakawa, T, Yamakawa, M, Tanokura, M.
Deposit date:2010-01-14
Release date:2010-07-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Isolation, cDNA cloning, and structure-based functional characterization of oryctin, a hemolymph protein from the coconut rhinoceros beetle, Oryctes rhinoceros, as a novel serine protease inhibitor
J.Biol.Chem., 285, 2010
4MVN
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BU of 4mvn by Molmil
Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor
Descriptor: Serine protease splA, [(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
Authors:Zdzalik, M, Burchacka, E, Niemczyk, J.S, Pustelny, K, Popowicz, G.M, Wladyka, B, Dubin, A, Potempa, J, Sienczyk, M, Dubin, G, Oleksyszyn, J.
Deposit date:2013-09-24
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus.
Protein Sci., 23, 2014
2LNC
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BU of 2lnc by Molmil
Solution NMR structure of Norwalk virus protease
Descriptor: 3C-like protease
Authors:Takahashi, D, Hiromasa, Y, Kim, Y, Anbanandam, A, Chang, K, Prakash, O.
Deposit date:2011-12-22
Release date:2012-12-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and dynamics characterization of norovirus protease.
Protein Sci., 22, 2013
4O9K
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BU of 4o9k by Molmil
Crystal structure of the CBS pair of a putative D-arabinose 5-phosphate isomerase from Methylococcus capsulatus in complex with CMP-Kdo
Descriptor: Arabinose 5-phosphate isomerase, CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID, GLYCEROL
Authors:Shabalin, I.G, Cooper, D.R, Shumilin, I.A, Zimmerman, M.D, Majorek, K.A, Hammonds, J, Hillerich, B.S, Nawar, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-01-02
Release date:2014-01-22
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure and kinetic properties of D-arabinose 5-phosphate isomerase from Methylococcus capsulatus
To be Published
2M5T
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BU of 2m5t by Molmil
Solution structure of the 2A proteinase from a common cold agent, human rhinovirus RV-C02, strain W12
Descriptor: ZINC ION, human rhinovirus 2A proteinase
Authors:Lee, W, Frederick, R, Tonelli, M, Troupis, A.T, Reinin, N, Suchy, F.P, Moyer, K, Watters, K, Aceti, D, Palmenberg, A.C, Markley, J.L.
Deposit date:2013-03-07
Release date:2014-03-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the 2A Protease from a Common Cold Agent, Human Rhinovirus C2, Strain W12.
Plos One, 9, 2014
7AKV
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BU of 7akv by Molmil
The cryo-EM structure of the Vag8-C1 inhibitor complex
Descriptor: Plasma protease C1 inhibitor, Vag8
Authors:Johnson, S, Lea, S.M, Deme, J.C, Furlong, E, Dhillon, A.
Deposit date:2020-10-02
Release date:2021-06-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular Basis for Bordetella pertussis Interference with Complement, Coagulation, Fibrinolytic, and Contact Activation Systems: the Cryo-EM Structure of the Vag8-C1 Inhibitor Complex.
Mbio, 12, 2021
7B3E
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BU of 7b3e by Molmil
Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
Descriptor: 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
Deposit date:2020-11-30
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Acs Pharmacol Transl Sci, 4, 2021
2L6T
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BU of 2l6t by Molmil
Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide
Descriptor: VIR-576
Authors:Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E.
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
5JD3
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BU of 5jd3 by Molmil
Crystal structure of LAE5, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, LAE5, ...
Authors:Stogios, P.J, Xu, X, Nocek, B, Cui, H, Yim, V, Martinez-Martinez, M, Alcaide, M, Ferrer, M, Savchenko, A.
Deposit date:2016-04-15
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:To be published
To Be Published
4PMJ
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BU of 4pmj by Molmil
Crystal structure of a putative oxidoreductase from Sinorhizobium meliloti 1021 in complex with NADP
Descriptor: GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative oxidoreductase
Authors:Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Szlachta, K, Zimmerman, M.D, Hillerich, B.S, Gizzi, A, Toro, R, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-05-21
Release date:2014-06-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a putative oxidoreductase from Sinorhizobiummeliloti 1021 in complex with NADP
to be published
2L6S
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BU of 2l6s by Molmil
Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide
Descriptor: VIR-576
Authors:Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Canales-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Standker, L, Kirchhoff, F, Schmidt, R.E.
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
3BPJ
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BU of 3bpj by Molmil
Crystal structure of human translation initiation factor 3, subunit 1 alpha
Descriptor: Eukaryotic translation initiation factor 3 subunit J, UNKNOWN ATOM OR ION
Authors:Tempel, W, Nedyalkova, L, Hong, B, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-12-18
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of human translation initiation factor 3, subunit 1 alpha.
To be Published
5DU3
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BU of 5du3 by Molmil
Active form of human C1-inhibitor
Descriptor: Plasma protease C1 inhibitor
Authors:Pannu, N.S, Dijk, M, Holkers, J, Voskamp, P, Giannetti, B.M, Waterreus, W.J, van Veen, H.A.
Deposit date:2015-09-18
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:How Dextran Sulfate Affects C1-inhibitor Activity: A Model for Polysaccharide Potentiation.
Structure, 24, 2016
4INK
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BU of 4ink by Molmil
Crystal structure of SplD protease from Staphylococcus aureus at 1.56 A resolution
Descriptor: Serine protease SplD
Authors:Zdzalik, M, Kalinska, M, Cichon, P, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G.
Deposit date:2013-01-04
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus.
Plos One, 8, 2013
5DUQ
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BU of 5duq by Molmil
Active human c1-inhibitor in complex with dextran sulfate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma protease C1 inhibitor, SULFITE ION, ...
Authors:Dijk, M, Holkers, J, Voskamp, P, Giannetti, B.M, Waterreus, W.J, van Veen, H.A, Pannu, N.S.
Deposit date:2015-09-20
Release date:2016-08-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:How Dextran Sulfate Affects C1-inhibitor Activity: A Model for Polysaccharide Potentiation.
Structure, 24, 2016
4INL
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BU of 4inl by Molmil
Crystal structure of SplD protease from Staphylococcus aureus at 2.1 A resolution
Descriptor: Serine protease SplD
Authors:Cichon, P, Zdzalik, M, Kalinska, M, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G.
Deposit date:2013-01-04
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus.
Plos One, 8, 2013
3H7T
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BU of 3h7t by Molmil
Crystal structure of scabies mite inactivated protease paralogue S-D1 (SMIPP-S-D1)
Descriptor: Group 3 allergen SMIPP-S YvT004A06, ZINC ION
Authors:Buckle, A.M.
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural mechanisms of inactivation in scabies mite serine protease paralogues.
J.Mol.Biol., 390, 2009
4J70
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BU of 4j70 by Molmil
Yeast 20S proteasome in complex with the belactosin derivative 3e
Descriptor: Proteasome component C1, Proteasome component C11, Proteasome component C5, ...
Authors:Kawamura, S, Unno, Y, List, A, Tanaka, M, Sasaki, T, Arisawa, M, Asai, A, Groll, M, Shuto, S.
Deposit date:2013-02-12
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent Proteasome Inhibitors Derived from the Unnatural cis-Cyclopropane Isomer of Belactosin A: Synthesis, Biological Activity, and Mode of Action.
J.Med.Chem., 56, 2013
7VYZ
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BU of 7vyz by Molmil
Structure of the M. tuberculosis HtrA S367A mutant
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-15
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
5FR3
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BU of 5fr3 by Molmil
X-ray crystal structure of aggregation-resistant protective antigen of Bacillus anthracis (mutant S559L T576E)
Descriptor: CALCIUM ION, GLYCEROL, PROTECTIVE ANTIGEN
Authors:Ganesan, A, Siekierska, A, Beerten, J, Brams, M, van Durme, J, De Baets, G, van der Kant, R, Gallardo, R, Ramakers, M, Langenberg, T, Wilkinson, H, De Smet, F, Ulens, C, Rousseau, F, Schymkowitz, J.
Deposit date:2015-12-15
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Structural Hot Spots for the Solubility of Globular Proteins
Nat.Commun., 7, 2016
5NN6
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BU of 5nn6 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-hydroxyethyl-1-deoxynojirimycin
Descriptor: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
Deposit date:2017-04-08
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
5NN8
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BU of 5nn8 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with acarbose
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
Deposit date:2017-04-08
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
5NN3
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BU of 5nn3 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
Deposit date:2017-04-08
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017

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