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PDB: 910 results

6JC0
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Structural analysis of molybdopterin synthases from two mycobacteria pathogens
Descriptor: Putative molybdenum cofactor biosynthesis protein, Putative molybdenum cofactor biosynthesis protein D2 (MoaD2) / thiamine S
Authors:Liu, X, Wang, H.Y.
Deposit date:2019-01-27
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
6J15
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BU of 6j15 by Molmil
Complex structure of GY-5 Fab and PD-1
Descriptor: 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, GY-5 heavy chain Fab, ...
Authors:Chen, D, Tan, S, Zhang, H, Wang, H, Chai, Y, Qi, J, Yan, J, Gao, G.F.
Deposit date:2018-12-27
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy.
Iscience, 14, 2019
2Z8P
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BU of 2z8p by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
Descriptor: (GLY)(GLU)(ALA)(TPO)(VAL)(PTR)(ALA), 27.5 kDa virulence protein
Authors:Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
Deposit date:2007-09-07
Release date:2007-12-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
2FM0
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BU of 2fm0 by Molmil
Crystal structure of PDE4D in complex with L-869298
Descriptor: (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY L)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ...
Authors:Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H.
Deposit date:2006-01-06
Release date:2006-03-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase
J.Med.Chem., 49, 2006
2FM5
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Crystal structure of PDE4D2 in complex with inhibitor L-869299
Descriptor: (R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ...
Authors:Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H.
Deposit date:2006-01-07
Release date:2006-03-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase
J.Med.Chem., 49, 2006
2Z8M
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BU of 2z8m by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
Descriptor: 27.5 kDa virulence protein
Authors:Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
Deposit date:2007-09-07
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
2HD1
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BU of 2hd1 by Molmil
Crystal structure of PDE9 in complex with IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase 9A, ...
Authors:Huai, Q, Wang, H, Zhang, W, Colman, R.W, Robinson, H, Ke, H.
Deposit date:2006-06-19
Release date:2006-06-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of phosphodiesterase 9 shows orientation variation of inhibitor IBMX binding
Proc.Natl.Acad.Sci.USA, 101, 2004
3M03
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BU of 3m03 by Molmil
Crystal structure of human Orc6 fragment
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Origin recognition complex subunit 6, SULFATE ION
Authors:Liu, S.X, Wu, L.J, Sun, J, Wang, H.F, Liu, Y.F.
Deposit date:2010-03-02
Release date:2011-03-09
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of human Orc6 protein reveals a homology with transcription factor TFIIB
Proc.Natl.Acad.Sci.USA, 108, 2011
7D1A
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BU of 7d1a by Molmil
cryo-EM structure of a group II intron RNP complexed with its reverse transcriptase
Descriptor: Group II intron-encoded protein LtrA, RNA (5'-R(P*CP*AP*CP*AP*UP*CP*CP*AP*UP*AP*AP*C)-3'), RNA (692-MER)
Authors:Liu, N, Dong, X.L, Hu, C.X, Zeng, J.W, Wang, J.W, Wang, J, Wang, H.W, Belfort, M.
Deposit date:2020-09-14
Release date:2020-10-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Exon and protein positioning in a pre-catalytic group II intron RNP primed for splicing.
Nucleic Acids Res., 48, 2020
3B55
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BU of 3b55 by Molmil
Crystal structure of the Q81BN2_BACCR protein from Bacillus cereus. NESG target BcR135
Descriptor: CALCIUM ION, Succinoglycan biosynthesis protein
Authors:Vorobiev, S.M, Chen, Y, Kuzin, A.P, Seetharaman, J, Wang, H, Cunningham, K, Owens, L, Maglaqui, M, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-10-25
Release date:2007-11-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the Q81BN2_BACCR protein from Bacillus cereus.
To be Published
3QWE
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BU of 3qwe by Molmil
Crystal structure of the N-terminal domain of the GEM interacting protein
Descriptor: GEM-interacting protein, UNKNOWN ATOM OR ION
Authors:Guan, X, Tempel, W, Tong, Y, Shen, L, Wang, H, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-02-28
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the N-terminal domain of the GEM interacting protein
to be published
2HLI
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BU of 2hli by Molmil
Solution structure of Crotonaldehyde-Derived N2-[3-Oxo-1(S)-methyl-propyl]-dG DNA Adduct in the 5'-CpG-3' Sequence
Descriptor: DNA dodecamer, DNA dodecamer with S-crotonaldehyde adduct
Authors:Cho, Y.-J, Wang, H, Kozekov, I.D, Kurtz, A.J, Jacob, J, Voehler, M, Smith, J, Harris, T.M, Rizzo, C.J, Stone, M.P.
Deposit date:2006-07-07
Release date:2006-09-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Orientation of the Crotonaldehyde-Derived N(2)-[3-Oxo-1(S)-methyl-propyl]-dG DNA Adduct Hinders Interstrand Cross-Link Formation in the 5'-CpG-3' Sequence
Chem.Res.Toxicol., 19, 2006
3UDN
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BU of 3udn by Molmil
Crystal Structure of BACE with Compound 9
Descriptor: 1,2-ETHANEDIOL, 4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ...
Authors:Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
Deposit date:2011-10-28
Release date:2012-04-18
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.193 Å)
Cite:Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UDK
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BU of 3udk by Molmil
Crystal Structure of BACE with Compound 6
Descriptor: 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
Deposit date:2011-10-28
Release date:2012-04-18
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UDY
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BU of 3udy by Molmil
Crystal Structure of BACE with Compound 11
Descriptor: 1,2-ETHANEDIOL, 3-bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ...
Authors:Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
Deposit date:2011-10-28
Release date:2012-04-18
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3DCD
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BU of 3dcd by Molmil
X-ray structure of the galactose mutarotase related enzyme Q5FKD7 from Lactobacillus acidophilus at the resolution 1.9A. Northeast Structural Genomics consortium target LaR33.
Descriptor: Galactose mutarotase related enzyme
Authors:Kuzin, A.P, Lew, S, Vorobiev, S.M, Seetharaman, J, Wang, H, Mao, L, Foote, E.L, Xiao, R, Nair, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-03
Release date:2008-07-29
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structure of the galactose mutarotase related enzyme Q5FKD7 from Lactobacillus acidophilus at the resolution 1.9A. Northeast Structural Genomics consortium target LaR33. (CASP Target)
To be Published
3DJU
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BU of 3dju by Molmil
Crystal structure of human BTG2
Descriptor: Protein BTG2
Authors:Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T.
Deposit date:2008-06-24
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity
Nucleic Acids Res., 36, 2008
3LBA
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BU of 3lba by Molmil
The Crystal Structure of smu.1229 from Streptococcus mutans UA159 bound to hypoxanthine
Descriptor: HYPOXANTHINE, Putative purine nucleoside phosphorylase, SULFATE ION
Authors:Su, X.-D, Hou, Q.M, Wang, H.F, Liu, X.
Deposit date:2010-01-08
Release date:2011-01-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The Crystal Structure of smu.1229 from Streptococcus mutans UA159 bound to hypoxanthine
TO BE PUBLISHED
7DGB
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BU of 7dgb by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-4-methyl-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pentanamide
Descriptor: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.678 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGH
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BU of 7dgh by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-2-naphthamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGF
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BU of 7dgf by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGG
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BU of 7dgg by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DL4
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BU of 7dl4 by Molmil
Crystal structure of human serum albumin and nitrosylruthenium complex adduct
Descriptor: 5-chloranylquinolin-8-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Xie, L.L, Wang, W.M, Wang, H.F.
Deposit date:2020-11-26
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Photodynamic Studies on Nitrosylruthenium Complexed Serum Albumin
To Be Published
3LXD
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BU of 3lxd by Molmil
Crystal Structure of Ferredoxin Reductase ArR from Novosphingobium aromaticivorans
Descriptor: FAD-dependent pyridine nucleotide-disulphide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-02-25
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010

224004

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