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6UFP
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BU of 6ufp by Molmil
Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate and three cysteines (Cys46, Cys470, Cys638) modified to S,S-(2-HYDROXYETHYL)THIOCYSTEINE
Descriptor: (2S)-1,3-thiazolidine-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Campbell, A.C, Tanner, J.J.
Deposit date:2019-09-24
Release date:2020-03-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.737 Å)
Cite:Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate.
Acs Chem.Biol., 15, 2020
9OIM
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BU of 9oim by Molmil
The von Hippel Lindau-ElonginB-ElonginC (VCB) complex with fragment 9
Descriptor: 1-[5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone, Elongin-B, Elongin-C, ...
Authors:Amporndanai, K, Katinas, J.M, Chopra, A, Fesik, S.W.
Deposit date:2025-05-06
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:NMR-Based Fragment Screen of the von Hippel-Lindau Elongin C&B Complex
Acs Med.Chem.Lett., 2025
9OIO
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BU of 9oio by Molmil
The von Hippel Lindau-ElonginB-ElonginC (VCB) complex with fragments 9 and 14
Descriptor: 1-[(2-fluorophenyl)methyl]-4-(propan-2-yl)piperazine, 1-[6-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone, DIMETHYL SULFOXIDE, ...
Authors:Amporndanai, K, Katinas, J.M, Chopra, A, Fesik, S.W.
Deposit date:2025-05-06
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NMR-Based Fragment Screen of the von Hippel-Lindau Elongin C&B Complex
Acs Med.Chem.Lett., 2025
9OIN
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BU of 9oin by Molmil
The von Hippel Lindau-ElonginB-ElonginC (VCB) complex with fragment 13
Descriptor: 1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine, Elongin-B, Elongin-C, ...
Authors:Amporndanai, K, Katinas, J.M, Chopra, A, Fesik, S.W.
Deposit date:2025-05-06
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:NMR-Based Fragment Screen of the von Hippel-Lindau Elongin C&B Complex
Acs Med.Chem.Lett., 2025
9OIQ
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BU of 9oiq by Molmil
The von Hippel Lindau-ElonginB-ElonginC (VCB) complex with fragment 15
Descriptor: 2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol, Elongin-B, Elongin-C, ...
Authors:Amporndanai, K, Katinas, J.M, Chopra, A, Fesik, S.W.
Deposit date:2025-05-06
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:NMR-Based Fragment Screen of the von Hippel-Lindau Elongin C&B Complex
Acs Med.Chem.Lett., 2025
6VZ9
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BU of 6vz9 by Molmil
Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate
Descriptor: (2S)-1,3-thiazolidine-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Campbell, A.C, Tanner, J.J.
Deposit date:2020-02-28
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate.
Acs Chem.Biol., 15, 2020
6QWQ
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BU of 6qwq by Molmil
Structure of gtPebB
Descriptor: Ferredoxin bilin reductase plastid, SULFATE ION
Authors:Sommerkamp, J.A, Hofmann, E.
Deposit date:2019-03-06
Release date:2019-08-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the first eukaryotic bilin reductaseGtPEBB reveals a flipped binding mode of dihydrobiliverdin.
J.Biol.Chem., 294, 2019
7JJQ
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BU of 7jjq by Molmil
Human Hemoglobin in Complex with Nitrosoamphetamine
Descriptor: (2R)-N-hydroxy-1-phenylpropan-2-amine, GLYCEROL, Hemoglobin subunit alpha, ...
Authors:Powell, S.M, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2020-07-27
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The nitrosoamphetamine metabolite is accommodated in the active site of human hemoglobin: Spectroscopy and crystal structure.
J.Inorg.Biochem., 213, 2020
1C3Q
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BU of 1c3q by Molmil
CRYSTAL STRUCTURE OF NATIVE THIAZOLE KINASE IN THE MONOCLINIC FORM
Descriptor: 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, CHLORIDE ION, Hydroxyethylthiazole kinase
Authors:Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E.
Deposit date:1999-07-28
Release date:1999-08-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
2THI
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BU of 2thi by Molmil
THIAMINASE I FROM BACILLUS THIAMINOLYTICUS
Descriptor: SULFATE ION, THIAMINASE I
Authors:Campobasso, N, Begley, T.P, Ealick, S.E.
Deposit date:1998-09-17
Release date:1999-10-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution.
Biochemistry, 37, 1998
4HKT
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BU of 4hkt by Molmil
Crystal structure of a putative myo-inositol dehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Inositol 2-dehydrogenase, ...
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-15
Release date:2012-12-19
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative myo-inositoldehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
to be published
4LUP
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BU of 4lup by Molmil
Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10 element non template strand
Descriptor: 1,2-ETHANEDIOL, RNA polymerase sigma factor, region 2 of sigmaE of E. coli
Authors:Campagne, S, Marsh, M.E, Vorholt, J.A.V, Allain, F.H.-T, Capitani, G.
Deposit date:2013-07-25
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis for -10 promoter element melting by environmentally induced sigma factors.
Nat.Struct.Mol.Biol., 21, 2014
3HQC
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BU of 3hqc by Molmil
Crystal structure of Phosphotyrosine-binding domain from the Human Tensin-like C1 domain-containing phosphatase (TENC1)
Descriptor: ACETATE ION, GLYCEROL, SULFATE ION, ...
Authors:Sampathkumar, P, Romero, R, Wasserman, S, Do, J, Dickey, M, Bain, K, Gheyi, T, Klemke, R, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-06-05
Release date:2009-07-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Phosphotyrosine-binding domain from the Human Tensin-like C1 domain-containing phosphatase (TENC1)
To be Published
6MEL
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BU of 6mel by Molmil
Succinyl-CoA synthase from Campylobacter jejuni
Descriptor: CHLORIDE ION, CITRIC ACID, Succinate--CoA ligase [ADP-forming] subunit beta, ...
Authors:Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-09-06
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Succinyl-CoA synthase from Campylobacter jejuni
to be published
3HWJ
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BU of 3hwj by Molmil
Crystal structure of the second PHR domain of Mouse Myc-binding protein 2 (MYCBP-2)
Descriptor: DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase MYCBP2
Authors:Sampathkumar, P, Ozyurt, S.A, Wasserman, S.R, Miller, S.A, Bain, K.T, Rutter, M.E, Gheyi, T, Klemke, R.L, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-06-17
Release date:2009-07-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1.
J.Mol.Biol., 397, 2010
9CRN
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BU of 9crn by Molmil
Crystal structure of Streptococcus pyogenes TglA
Descriptor: GLYCEROL, SODIUM ION, Transglutaminase-like domain-containing protein
Authors:Campbell, I.R, Neiditch, M.B.
Deposit date:2024-07-22
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of Streptococcus pyogenes TglA
To Be Published
4IFQ
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BU of 4ifq by Molmil
Crystal structure of Saccharomyces cerevisiae NUP192, residues 2 to 960 [ScNup192(2-960)]
Descriptor: IODIDE ION, Nucleoporin NUP192, SULFATE ION
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals)
Deposit date:2012-12-14
Release date:2013-02-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure, dynamics, evolution, and function of a major scaffold component in the nuclear pore complex.
Structure, 21, 2013
4JJM
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BU of 4jjm by Molmil
Structure of a cyclophilin from Citrus sinensis (CsCyp) in complex with cyclosporin A
Descriptor: Peptidyl-prolyl cis-trans isomerase, cyclosporin A
Authors:Campos, B.M, Ambrosio, A.L.B, Souza, T.A.C.B, Barbosa, J.A.R.G, Benedetti, C.E.
Deposit date:2013-03-08
Release date:2013-06-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A redox 2-cys mechanism regulates the catalytic activity of divergent cyclophilins.
Plant Physiol., 162, 2013
4IPG
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BU of 4ipg by Molmil
Structure of the N-terminal domain of RPA70, E7R, E100R mutant
Descriptor: Replication protein A 70 kDa DNA-binding subunit
Authors:Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J.
Deposit date:2013-01-09
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
4IPH
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BU of 4iph by Molmil
Structure of N-terminal domain of RPA70 in complex with VU079104 inhibitor
Descriptor: Replication protein A 70 kDa DNA-binding subunit, ~{N}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide
Authors:Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J.
Deposit date:2013-01-09
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
4IPY
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BU of 4ipy by Molmil
HIV capsid C-terminal domain
Descriptor: 1,2-ETHANEDIOL, Capsid protein p24
Authors:Lampel, A, Yaniv, O, Berger, O, Bachrach, E, Gazit, E, Frolow, F.
Deposit date:2013-01-10
Release date:2013-10-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A triclinic crystal structure of the carboxy-terminal domain of HIV-1 capsid protein with four molecules in the asymmetric unit reveals a novel packing interface.
Acta Crystallogr.,Sect.F, 69, 2013
4JWT
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BU of 4jwt by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251 (Target NYSGRC-029304 )
Descriptor: 1,2-ETHANEDIOL, ADENINE, Methylthioadenosine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-27
Release date:2013-05-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251
To be Published
4JP2
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BU of 4jp2 by Molmil
Crystal Structure of TT0495 protein from Thermus thermophilus HB8
Descriptor: 2-deoxy-D-gluconate 3-dehydrogenase
Authors:Pampa, K.J, Lokanath, N.K, Kunishima, N, Ravishnkar Rai, V.
Deposit date:2013-03-19
Release date:2014-03-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The first crystal structure of NAD-dependent 3-dehydro-2-deoxy-D-gluconate dehydrogenase from Thermus thermophilus HB8
Acta Crystallogr.,Sect.D, 70, 2014
7BAJ
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BU of 7baj by Molmil
Crystal structure of ligand-free SARS-CoV-2 main protease
Descriptor: Main Protease
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAK
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BU of 7bak by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021

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