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8DQF
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BU of 8dqf by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Descriptor: Carbonic anhydrase, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, SULFATE ION, ...
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-07-19
Release date:2022-12-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
8DYQ
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BU of 8dyq by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ...
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-08-04
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
8DR2
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BU of 8dr2 by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
Descriptor: 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide, Carbonic anhydrase, SULFATE ION, ...
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-07-20
Release date:2022-12-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
8DRB
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BU of 8drb by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Descriptor: 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase, SULFATE ION, ...
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-07-20
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
8DPC
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BU of 8dpc by Molmil
Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae
Descriptor: Carbonic anhydrase, SULFATE ION, ZINC ION
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-07-15
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
8DPO
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BU of 8dpo by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ...
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-07-15
Release date:2023-07-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
To Be Published
6D1R
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BU of 6d1r by Molmil
Structure of Staphylococcus aureus RNase P protein at 2.0 angstrom
Descriptor: Ribonuclease P protein component
Authors:Ha, L, Colquhoun, J, Noinaj, N, Das, C, Dunman, P, Flaherty, D.P.
Deposit date:2018-04-12
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Crystal structure of the ribonuclease-P-protein subunit from Staphylococcus aureus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
8DY8
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BU of 8dy8 by Molmil
Crystal structure of the R178Q mutant of ubiquitin carboxy terminal hydrolase L1 (UCH-L1)
Descriptor: MAGNESIUM ION, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1
Authors:Kenny, S, Brown, K.J, Das, C.
Deposit date:2022-08-03
Release date:2023-08-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enhanced catalytic activity of the UCHL1R178Q mutant is due to a more reactive active site
To Be Published
6WTG
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BU of 6wtg by Molmil
SdeA DUB Domain in complex with Ubiquitin
Descriptor: Ubiquitin, Ubiquitinating/deubiquitinating enzyme SdeA
Authors:Kenny, S, Sheedlo, M, Das, C.
Deposit date:2020-05-02
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Insights into Ubiquitin Product Release in Hydrolysis Catalyzed by the Bacterial Deubiquitinase SdeA.
Biochemistry, 60, 2021
4Q3W
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BU of 4q3w by Molmil
Crystal structure of C. violaceum phenylalanine hydroxylase D139E mutation
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, Phenylalanine-4-hydroxylase
Authors:Ronau, J.A, Abu-Omar, M.M, Das, C.
Deposit date:2014-04-12
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A conserved acidic residue in phenylalanine hydroxylase contributes to cofactor affinity and catalysis.
Biochemistry, 53, 2014
4Q3X
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BU of 4q3x by Molmil
Crystal structure of C. violaceum phenylalanine hydroxylase D139N mutation
Descriptor: COBALT (II) ION, Phenylalanine-4-hydroxylase
Authors:Ronau, J.A, Abu-Omar, M.M, Das, C.
Deposit date:2014-04-12
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A conserved acidic residue in phenylalanine hydroxylase contributes to cofactor affinity and catalysis.
Biochemistry, 53, 2014
8EFW
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BU of 8efw by Molmil
Structure of SdeA DUB Domain disulfide crosslinked with Ubiquitin
Descriptor: SdeA, Ubiquitin
Authors:Negron Teron, K.N, Das, C.
Deposit date:2022-09-09
Release date:2023-09-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Cocrystallization of ubiquitin-deubiquitinase complexes through disulfide linkage.
Acta Crystallogr D Struct Biol, 79, 2023
8EFX
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BU of 8efx by Molmil
Structure of OtDUB DUB Domain disulfide crosslinked with Ubiquitin
Descriptor: OtDUB, Ubiquitin
Authors:Negron Teron, K.N, Das, C.
Deposit date:2022-09-09
Release date:2023-09-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cocrystallization of ubiquitin-deubiquitinase complexes through disulfide linkage.
Acta Crystallogr D Struct Biol, 79, 2023
8EDE
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BU of 8ede by Molmil
Crystal structure of covalent inhibitor 2-chloro-N'-(N-(4-chlorophenyl)-N-methylglycyl)acetohydrazide bound to Ubiquitin C-terminal Hydrolase-L1
Descriptor: 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1
Authors:Patel, R, Imhoff, R, Flaherty, D, Das, C.
Deposit date:2022-09-04
Release date:2023-09-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Covalent Fragment Screening and Optimization Identifies the Chloroacetohydrazide Scaffold as Inhibitors for Ubiquitin C-terminal Hydrolase L1.
J.Med.Chem., 67, 2024
8FEK
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BU of 8fek by Molmil
Crystal structure of PBP cyclase Ulm16
Descriptor: PBP cyclase Ulm16
Authors:Patel, R, Budimir, Z, Parkinson, E, Das, C.
Deposit date:2022-12-06
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.058 Å)
Cite:Biocatalytic cyclization of small macrolactams by a penicillin-binding protein-type thioesterase.
Nat.Chem.Biol., 20, 2024
6MRN
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BU of 6mrn by Molmil
Crystal Structure of ChlaDUB2 DUB domain
Descriptor: Deubiquitinase and deneddylase Dub2
Authors:Hausman, J.M, Das, C.
Deposit date:2018-10-15
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The Two Deubiquitinating Enzymes fromChlamydia trachomatisHave Distinct Ubiquitin Recognition Properties.
Biochemistry, 59, 2020
5CRC
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BU of 5crc by Molmil
Structure of the SdeA DUB Domain
Descriptor: SdeA
Authors:Sheedlo, M.J, Qiu, J, Tan, Y, Paul, L.N, Luo, Z.Q, Das, C.
Deposit date:2015-07-22
Release date:2015-11-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.853 Å)
Cite:Structural basis of substrate recognition by a bacterial deubiquitinase important for dynamics of phagosome ubiquitination.
Proc.Natl.Acad.Sci.USA, 112, 2015
5CRB
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BU of 5crb by Molmil
Crystal Structure of SdeA DUB
Descriptor: SdeA
Authors:Sheedlo, M.J, Qiu, J, Luo, Z.Q, Das, C.
Deposit date:2015-07-22
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of substrate recognition by a bacterial deubiquitinase important for dynamics of phagosome ubiquitination.
Proc.Natl.Acad.Sci.USA, 112, 2015
5CRA
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BU of 5cra by Molmil
Structure of the SdeA DUB Domain
Descriptor: METHYL 4-AMINOBUTANOATE, Polyubiquitin-B, SULFATE ION, ...
Authors:Sheedlo, M.J, Qiu, J, Luo, Z.Q, Das, C.
Deposit date:2015-07-22
Release date:2015-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis of substrate recognition by a bacterial deubiquitinase important for dynamics of phagosome ubiquitination.
Proc.Natl.Acad.Sci.USA, 112, 2015
7LM3
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BU of 7lm3 by Molmil
Crystal Structure of Thr316Ala mutant of JAMM domain of S. pombe
Descriptor: AMSH-like protease sst2, PHOSPHATE ION, ZINC ION
Authors:Shrestha, R, Das, C.
Deposit date:2021-02-05
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the Thr316Ala mutant of a yeast JAMM deubiquitinase: implication of active-site loop dynamics in catalysis.
Acta Crystallogr.,Sect.F, 77, 2021
8UX2
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BU of 8ux2 by Molmil
Chromobacterium violaceum mono-ADP-ribosyltransferase CteC in complex with NAD+
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, NAD(+)--protein-threonine ADP-ribosyltransferase, ...
Authors:Zhang, Z, Rondon, H, Das, C.
Deposit date:2023-11-08
Release date:2024-01-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of bacterial ubiquitin ADP-ribosyltransferase CteC reveals a substrate-recruiting insertion.
J.Biol.Chem., 300, 2023
5UBW
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BU of 5ubw by Molmil
Structure of catalytic domain of Ssel
Descriptor: 1,2-ETHANEDIOL, Deubiquitinase SseL
Authors:Shrestha, R, Das, C.
Deposit date:2016-12-21
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Structure of catalytic domain of Ssel
To Be Published
4M3C
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BU of 4m3c by Molmil
Structure of a binary complex between homologous tetrameric legume lectins from Butea monosperma and Spatholobus parviflorus seeds
Descriptor: CALCIUM ION, GAMMA-AMINO-BUTANOIC ACID, GLYCEROL, ...
Authors:Surya, S, Abhilash, J, Geethanandan, K, Sadasivan, C, Haridas, M.
Deposit date:2013-08-06
Release date:2013-09-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a binary complex between homologous tetrameric legume lectins from Butea monosperma and Spatholobus parviflorus seeds
To be Published
3RU0
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BU of 3ru0 by Molmil
Cocrystal structure of human SMYD3 with inhibitor Sinefungin bound
Descriptor: SET and MYND domain-containing protein 3, SINEFUNGIN, ZINC ION
Authors:Foreman, K.W, Brown, M, Park, F, Emtage, S, Harriss, J, Das, C, Zhu, L, Crew, A, Arnold, L, Shaaban, S, Tucker, P.
Deposit date:2011-05-04
Release date:2011-05-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Structural and Functional Profiling of the Human Histone Methyltransferase SMYD3.
Plos One, 6, 2011
4ETL
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BU of 4etl by Molmil
Crystallographic structure of phenylalanine hydroxylase from Chromobacterium violaceum F258A mutation
Descriptor: COBALT (II) ION, Phenylalanine-4-hydroxylase
Authors:Ronau, J.A, Paul, L.P, Corn, I.R, Wagner, K.T, Abu-Omar, M.M, Das, C.
Deposit date:2012-04-24
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Eur.Biophys.J., 42, 2013

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