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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:2023-10-25
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
8DMP
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BU of 8dmp by Molmil
Crystal structure of Legionella pneumophila macrodomain effector MavL
Descriptor: MavL
Authors:Zhang, Z, Das, C.
Deposit date:2022-07-08
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of Legionella pneumophila macrodomain effector MavL
To Be Published
8DMS
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BU of 8dms by Molmil
Crystal structure of Legionella pneumophila macrodomain MavL in complex with ubiquitin vinyl methyl ester soaked with ADP-ribose
Descriptor: CITRATE ANION, METHYL 4-AMINOBUTANOATE, MavL, ...
Authors:Zhang, Z, Das, C.
Deposit date:2022-07-08
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Legionella pneumophila macrodomain MavL in complex with ubiquitin vinyl methyl ester soaked with ADP-ribose
To Be Published
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:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
To Be Published
8DMQ
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BU of 8dmq by Molmil
Crystal structure of Legionella pneumophila macrodomain MavL in complex with ubiquitin vinyl methyl ester
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, METHYL 4-AMINOBUTANOATE, ...
Authors:Zhang, Z, Das, C.
Deposit date:2022-07-08
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:Structure of Legionella pneumophila macrodomain effector MavL in complex with ubiquitin vinyl methyl ester
To Be Published
8DMT
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BU of 8dmt by Molmil
Crystal structure of macrodomain CG2909 from Drosophila melanogaster in complex with ADP-ribose
Descriptor: RE54994p, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Zhang, Z, Das, C.
Deposit date:2022-07-08
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure of ADP-ribose-bound Drosophila macrodomain CG2909
To Be Published
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
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
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:2024-05-22
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
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
3IRT
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BU of 3irt by Molmil
Crystal Structure of the I93M Mutant of Ubiquitin Carboxy-terminal Hydrolase L1
Descriptor: CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1
Authors:Davies, C.W, Maiti, T.K, Das, C.
Deposit date:2009-08-24
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Ubiquitin vinyl methyl ester binding orients the misaligned active site of the ubiquitin hydrolase UCHL1 into productive conformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
4I6N
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BU of 4i6n by Molmil
Crystal structure of Trichinella spiralis UCH37 catalytic domain bound to Ubiquitin vinyl methyl ester
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, METHYL 4-AMINOBUTANOATE, SODIUM ION, ...
Authors:Morrow, M.E, Ronau, J.A, White, R.R, Artavanis-Tsakonas, K, Das, C.
Deposit date:2012-11-29
Release date:2013-05-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Stabilization of an Unusual Salt Bridge in Ubiquitin by the Extra C-Terminal Domain of the Proteasome-Associated Deubiquitinase UCH37 as a Mechanism of Its Exo Specificity.
Biochemistry, 52, 2013
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:2019-12-04
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
4JPY
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BU of 4jpy by Molmil
Iron and phenylalanine bound crystal structure of phenylalanine hydroxylase from Chromobacterium violaceum
Descriptor: FE (III) ION, PHENYLALANINE, Phenylalanine-4-hydroxylase
Authors:Ronau, J.A, Abu-Omar, M.M, Das, C.
Deposit date:2013-03-19
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Eur.Biophys.J., 42, 2013
4JPX
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BU of 4jpx by Molmil
Crystal structure of phenylalanine hydroxylase S203P mutant from Chromobacterium violaceum
Descriptor: COBALT (II) ION, PHENYLALANINE, Phenylalanine-4-hydroxylase
Authors:Ronau, J.A, Abu-Omar, M.M, Das, C.
Deposit date:2013-03-19
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Eur.Biophys.J., 42, 2013
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
4JXE
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BU of 4jxe by Molmil
Crystal structure of Schizosaccharomyces pombe sst2 catalytic domain
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMSH-like protease sst2, ...
Authors:Shrestha, R.K, Das, C.
Deposit date:2013-03-28
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product.
Biochemistry, 53, 2014
4JKJ
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BU of 4jkj by Molmil
Crystal Structure of the S18Y Variant of Ubiquitin Carboxy-terminal Hydrolase L1
Descriptor: SULFATE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1
Authors:Davies, C.W, Ringe, D, Petsko, G.A, Das, C.
Deposit date:2013-03-09
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Crystal Structure of the S18Y Variant of Ubiquitin Carboxy-terminal Hydrolase L1
To be Published
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
4K1R
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BU of 4k1r by Molmil
Crystal structure of Schizosaccharomyces pombe sst2 catalytic domain and Ubiquitin
Descriptor: 1,2-ETHANEDIOL, AMSH-like protease sst2, CHLORIDE ION, ...
Authors:Shrestha, R.K, Das, C.
Deposit date:2013-04-05
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product.
Biochemistry, 53, 2014

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