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7A9J
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BU of 7a9j by Molmil
Crystal structure of the R395G mutant form of Coronafacic Acid Ligase from Pectobacterium brasiliense
Descriptor: 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid, Cfl, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-09-02
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery, characterization and engineering of ligases for amide synthesis.
Nature, 593, 2021
6XID
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BU of 6xid by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 51
Descriptor: GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6Y5M
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BU of 6y5m by Molmil
Crystal structure of mouse Autotaxin in complex with compound 1a
Descriptor: (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Faller, M, Zink, F.
Deposit date:2020-02-25
Release date:2020-11-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Development of autotaxin inhibitors: A series of tetrazole cinnamides.
Bioorg.Med.Chem.Lett., 31, 2021
6HJX
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BU of 6hjx by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) 7'C pore mutant (L238C) in complex with nanobody 72
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cys-loop ligand-gated ion channel, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C.
Deposit date:2018-09-04
Release date:2019-10-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
Nat.Chem.Biol., 15, 2019
6XIF
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BU of 6xif by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 83
Descriptor: GLYCEROL, Peptide 83, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.774 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6HK0
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BU of 6hk0 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) F16'S pore mutant (F247S) with alternate M4 conformation.
Descriptor: Cys-loop ligand-gated ion channel, DODECYL-BETA-D-MALTOSIDE
Authors:Nury, H, Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C.
Deposit date:2018-09-04
Release date:2019-10-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
Nat.Chem.Biol., 15, 2019
6YNU
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BU of 6ynu by Molmil
CaM-P458 complex (crystal form 1)
Descriptor: Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1
Authors:Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A.
Deposit date:2020-04-14
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells.
Adv Sci, 8, 2021
6YNS
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BU of 6yns by Molmil
CaM-P458 complex (crystal form 2)
Descriptor: Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1
Authors:Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A.
Deposit date:2020-04-14
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.94 Å)
Cite:A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells.
Adv Sci, 8, 2021
6XIE
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BU of 6xie by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 77
Descriptor: GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6HWP
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BU of 6hwp by Molmil
Structure of A3_bGFPD, an artificial bi-domain protein based on two different alphaRep domains : A3 and a GFP binding domain (bGFPD)
Descriptor: A3_bGFPD, MALONATE ION, SODIUM ION
Authors:Li de la Sierra-Gallay, I, Leger, C.
Deposit date:2018-10-12
Release date:2018-10-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Ligand-induced conformational switch in an artificial bidomain protein scaffold.
Sci Rep, 9, 2019
6XIB
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BU of 6xib by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 30
Descriptor: GLYCEROL, Peptide 30, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.546 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XIC
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BU of 6xic by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 40
Descriptor: GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
2KHV
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BU of 2khv by Molmil
Solution NMR structure of protein Nmul_A0922 from Nitrosospira multiformis. Northeast Structural Genomics Consortium target NmR38B.
Descriptor: Phage integrase
Authors:Wu, Y, Mills, J.L, Wang, D, Ciccosanti, C, Sukumaran, D.K, Jiang, M, Garcia, E, Nair, R, Rost, B, Swapna, G.V.T, Acton, T.B, Xiao, R, Everett, J, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-04-13
Release date:2009-04-21
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of protein Nmul_A0922 from Nitrosospira multiformis. Northeast Structural Genomics Consortium target NmR38B.
To be Published
2HFI
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BU of 2hfi by Molmil
Solution NMR Structure of Protein yppE from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR213
Descriptor: Hypothetical protein yppE
Authors:Liu, G, Singarapu, K.K, Parish, D, Eletsky, A, Xu, D, Sukumaran, D, Ho, C.K, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-23
Release date:2006-07-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of hypothetical protein yppE: Northeast Structural Genomics Consortium Target SR213
TO BE PUBLISHED
1XNE
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BU of 1xne by Molmil
Solution Structure of Pyrococcus furiosus Protein PF0470: The Northeast Structural Genomics Consortium Target PfR14
Descriptor: hypothetical protein PF0469
Authors:Liu, G, Xiao, R, Parish, D, Ma, L, Sukumaran, D, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-10-04
Release date:2004-12-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR data collection and analysis protocol for high-throughput protein structure determination.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2MOA
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BU of 2moa by Molmil
Solution NMR structure of peptide ImI1 (peak 2)
Descriptor: Alpha-conotoxin ImI
Authors:Heinis, C, Chen, S.
Deposit date:2014-04-24
Release date:2014-09-24
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
7BBG
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BU of 7bbg by Molmil
CRYSTAL STRUCTURE OF HLA-A2-WT1-RMF AND FAB 11D06
Descriptor: Beta-2-microglobulin, Heavy chain of Fab fragment 11D06, Light chain of Fab fragment 11D06, ...
Authors:Bujotzek, A, Georges, G, Hanisch, L.J, Klein, C, Benz, J.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Targeting intracellular WT1 in AML with a novel RMF-peptide-MHC-specific T-cell bispecific antibody.
Blood, 138, 2021
2L03
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BU of 2l03 by Molmil
Spatial structure of water-soluble Lynx1
Descriptor: Ly-6/neurotoxin-like protein 1
Authors:Mineev, K.S, Shenkarev, Z.O, Arseniev, A.S.
Deposit date:2010-06-30
Release date:2011-01-19
Last modified:2014-10-01
Method:SOLUTION NMR
Cite:NMR structure and action on nicotinic acetylcholine receptors of water-soluble domain of human LYNX1
J.Biol.Chem., 286, 2011
8EUA
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BU of 8eua by Molmil
Structure of SARS-CoV2 PLpro bound to a covalent inhibitor
Descriptor: Papain-like protease nsp3, SULFATE ION, ZINC ION, ...
Authors:Mathews, I.I, Pokhrel, S, Wakatsuki, S.
Deposit date:2022-10-18
Release date:2023-04-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Nat Commun, 14, 2023
3C7X
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BU of 3c7x by Molmil
Hemopexin-like domain of matrix metalloproteinase 14
Descriptor: CHLORIDE ION, Matrix metalloproteinase-14, SODIUM ION
Authors:Tochowicz, A, Itoh, Y, Maskos, K, Bode, W, Goettig, P.
Deposit date:2008-02-08
Release date:2009-02-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The dimer interface of the membrane type 1 matrix metalloproteinase hemopexin domain: crystal structure and biological functions
J.Biol.Chem., 286, 2011
2MIQ
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BU of 2miq by Molmil
Solution NMR Structure of PHD Type 1 Zinc Finger Domain 1 of Lysine-specific Demethylase Lid from Drosophila melanogaster, Northeast Structural Genomics Consortium (NESG) Target FR824J
Descriptor: Lysine-specific demethylase lid, ZINC ION
Authors:Xu, X, Eletsky, A, Shastry, R, Maglaqui, M, Janjua, H, Xiao, R, Everett, J.K, Sukumaran, D.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG), Chaperone-Enabled Studies of Epigenetic Regulation Enzymes (CEBS)
Deposit date:2013-12-17
Release date:2014-01-29
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Solution NMR Structure of PHD Type 1 Zinc Finger Domain 1 from Lysine-specific Demethylase Lid from Drosophila melanogaster, Northeast Structural Genomics Consortium (NESG) Target FR824J
To be Published
6LPR
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BU of 6lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-NORLEUCINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1991-08-05
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
2YOE
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BU of 2yoe by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with GABA and flurazepam
Descriptor: CYS-LOOP LIGAND-GATED ION CHANNEL, Flurazepam, GAMMA-AMINO-BUTANOIC ACID
Authors:Spurny, R, Brams, M, Nury, H, Legrand, P, Ulens, C.
Deposit date:2012-10-23
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Pentameric Ligand-Gated Ion Channel Elic is Activated by Gaba and Modulated by Benzodiazepines.
Proc.Natl.Acad.Sci.USA, 109, 2012
3DKT
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BU of 3dkt by Molmil
Crystal structure of Thermotoga maritima encapsulin
Descriptor: Maritimacin, Putative uncharacterized protein
Authors:Sutter, M, Boehringer, D, Gutmann, S, Weber-Ban, E, Ban, N.
Deposit date:2008-06-26
Release date:2008-09-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural basis of enzyme encapsulation into a bacterial nanocompartment
Nat.Struct.Mol.Biol., 15, 2008
7QXM
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BU of 7qxm by Molmil
Crystal structure of the Vibrio cholerae replicative helicase (DnaB)
Descriptor: Replicative DNA helicase
Authors:Legrand, P, Quevillon-Cheruel, S, Walbott, H, Cargemel, C.
Deposit date:2022-01-26
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The apo-form of the Vibrio cholerae replicative helicase DnaB is a labile and inactive planar trimer of dimers.
Febs Lett., 596, 2022

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数据于2024-11-06公开中

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