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5ZMQ
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BU of 5zmq by Molmil
Crystal structure of Zika NS3 protease with phenylacetyl-Lys-Lys-Arg-COOH inhibitor
Descriptor: Serine protease NS3, Serine protease subunit NS2B, peptide PAC-DLY-DLY-DAR
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-05
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
5ZMS
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BU of 5zms by Molmil
Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H
Descriptor: 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H, NS3 protease, Serine protease subunit NS2B
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-05
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
7DMO
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BU of 7dmo by Molmil
Crystal structures of two pericyclases catalyzing [4+2] cycloadditions
Descriptor: Diels-Alderase
Authors:Wang, Z.D, Chi, C.B, Ma, M.
Deposit date:2020-12-04
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.
Acs Omega, 6, 2021
3CWB
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BU of 3cwb by Molmil
Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ...
Authors:Huang, L, Cromartie, T, Viner, R, Crowley, P.J, Berry, E.A.
Deposit date:2008-04-21
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D.
Bioorg.Med.Chem., 16, 2008
5WA3
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BU of 5wa3 by Molmil
Pyridine synthase, TbtD, from thiomuracin biosynthesis
Descriptor: Pyridine synthase TbtD
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-06-24
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3HH0
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BU of 3hh0 by Molmil
Crystal structure of a transcriptional regulator, MerR family from Bacillus cereus
Descriptor: Transcriptional regulator, MerR family
Authors:Palani, K, Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-05-14
Release date:2009-05-26
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure of a transcriptional regulator, MerR family from Bacillus cereus
To be Published
6JHC
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BU of 6jhc by Molmil
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis (ligand free)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hydroxynitrile lyase
Authors:Motojima, F, Asano, Y.
Deposit date:2019-02-18
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
7E8M
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BU of 7e8m by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
Authors:Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J.
Deposit date:2021-03-02
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species.
Immunity, 54, 2021
4Y5Q
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BU of 4y5q by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-domain protein kinase 1, ...
Authors:Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2015-02-11
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
To Be Published
7DQZ
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BU of 7dqz by Molmil
Crystal structure of SARS 3C-like protease in apo form
Descriptor: 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2020-12-24
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO7
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BU of 7eo7 by Molmil
Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24916625 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2808516 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
6KFD
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BU of 6kfd by Molmil
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis, complexed with iodoacetate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hydroxynitrile lyase, iodoacetic acid
Authors:Motojima, F, Izumi, A, Asano, Y.
Deposit date:2019-07-07
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
6KFC
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BU of 6kfc by Molmil
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis, complexed with cyanide ion
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYANIDE ION, Hydroxynitrile lyase, ...
Authors:Motojima, F, Izumi, A, Asano, Y.
Deposit date:2019-07-07
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
6KFE
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BU of 6kfe by Molmil
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis (recombinant)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hydroxynitrile lyase
Authors:Motojima, F, Izumi, A, Asano, Y.
Deposit date:2019-07-07
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and crystallographic analysis of hydroxynitrile lyase from the millipede, Chamberlinius hualienensis
To Be Published
6KFA
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BU of 6kfa by Molmil
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis bound with acetate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hydroxynitrile lyase
Authors:Motojima, F, Izumi, A, Asano, Y.
Deposit date:2019-07-07
Release date:2020-07-08
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
8VZO
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BU of 8vzo by Molmil
Cryo-EM structure of FLVCR2 in the outward-facing state with choline bound
Descriptor: CHOLINE ION, Fab FLV23 heavy chain, Fab FLV23 light chain, ...
Authors:Cater, R.J, Mancia, F.
Deposit date:2024-02-12
Release date:2024-05-01
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Structural and molecular basis of choline uptake into the brain by FLVCR2.
Nature, 629, 2024
8VZN
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BU of 8vzn by Molmil
Cryo-EM structure of FLVCR2 in the inward-facing state with choline bound
Descriptor: CHOLINE ION, Fab FLV9 heavy chain, Fab FLV9 light chain, ...
Authors:Cater, R.J, Mancia, F.
Deposit date:2024-02-12
Release date:2024-05-01
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural and molecular basis of choline uptake into the brain by FLVCR2.
Nature, 629, 2024
7VS2
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BU of 7vs2 by Molmil
secreted fungal effector protein MoErs1
Descriptor: MoErs1
Authors:Wang, F.F, Xing, W.M.
Deposit date:2021-10-25
Release date:2023-08-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast.
Nat.Plants, 2024
8YJM
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BU of 8yjm by Molmil
Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and a single chain H2B-H2A chimera
Descriptor: DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2B 1/2/3/4/6,Histone H2A type 1-D, ...
Authors:Gan, S.L, Yang, W.S, Xu, R.M.
Deposit date:2024-03-02
Release date:2024-03-20
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 67, 2024
8YJF
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BU of 8yjf by Molmil
Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and an H2A-H2B dimer
Descriptor: DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2A type 1-D, ...
Authors:Gan, S.L, Yang, W.S, Xu, R.M.
Deposit date:2024-03-01
Release date:2024-03-20
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 67, 2024
7E7Y
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BU of 7e7y by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab
Descriptor: BD-623 Fab H, BD-623 Fab L, Spike protein S1
Authors:Wei, Y, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E88
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BU of 7e88 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-515 Fab
Descriptor: BD-515 Fab Heavy Chain, BD-515 Fab Light Chain, Spike protein S1
Authors:Gao, C, Wei, Y, Xiao, J.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E86
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BU of 7e86 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-508 Fab
Descriptor: BD-508 Fab Heavy Chain, BD-508 Fab Light Chain, Spike protein S1
Authors:Gao, C, Xiao, J.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
8WYP
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BU of 8wyp by Molmil
High Resolution Crystal Structure of Brd4 BD-1 in Complex with a Novel Inhibitor Precursor
Descriptor: 3-bromanylimidazo[1,2-a]pyridin-6-amine, Bromodomain-containing protein 4
Authors:Liu, B, Ma, X.
Deposit date:2023-10-31
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:High resolution crystal structure of BRD4-BD1 in complex with a novel inhibitor precursor.
Biochem.Biophys.Res.Commun., 690, 2024

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PDB entries from 2024-10-09

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