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2LB1
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BU of 2lb1 by Molmil
Structure of the second domain of human Smurf1 in complex with a human Smad1 derived peptide
Descriptor: E3 ubiquitin-protein ligase SMURF1, Mothers against decapentaplegic homolog 1
Authors:Macias, M.J, Aragon, E, Goerner, N, Zaromytidou, A, Xi, Q, Escobedo, A, Massague, J.
Deposit date:2011-03-22
Release date:2011-07-06
Last modified:2016-04-27
Method:SOLUTION NMR
Cite:A Smad action turnover switch operated by WW domain readers of a phosphoserine code.
Genes Dev., 25, 2011
7D8N
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BU of 7d8n by Molmil
Structure of the inactive form of wild-type peptidylarginine deiminase type III (PAD3) crystallized under the condition with high concentrations of Ca2+
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Funabashi, K, Sawata, M, Unno, M.
Deposit date:2020-10-08
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.753 Å)
Cite:Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Arch.Biochem.Biophys., 708, 2021
7GSV
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BU of 7gsv by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000830b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(ethylamino)benzoic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GTM
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BU of 7gtm by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000543a
Descriptor: (4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7RXL
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BU of 7rxl by Molmil
Fab1488 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab1488 heavy chain, Fab1488 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.823 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7GT3
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BU of 7gt3 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000527a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ethyl (3R,3aS,8bS)-1-acetyl-5-methyl-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrole-3-carboxylate
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
2G4E
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BU of 2g4e by Molmil
Crystal structure of transthyretin mutant I84A at neutral pH
Descriptor: Transthyretin
Authors:Pasquato, N, Folli, C, Berni, R, Zanotti, G.
Deposit date:2006-02-22
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Acidic pH-induced conformational changes in amyloidogenic mutant transthyretin.
J.Mol.Biol., 366, 2007
3H25
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BU of 3h25 by Molmil
Crystal structure of the catalytic domain of primase Repb' in complex with initiator DNA
Descriptor: Replication protein B, SINGLE STRANDED INITIATOR DNA (SSIA)
Authors:Geibel, S, Banchenko, S, Engel, M, Lanka, E, Saenger, W.
Deposit date:2009-04-14
Release date:2009-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and function of primase RepB' encoded by broad-host-range plasmid RSF1010 that replicates exclusively in leading-strand mode
Proc.Natl.Acad.Sci.USA, 106, 2009
2LEK
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BU of 2lek by Molmil
Solution NMR structure of a Thiamine Biosynthesis (ThiS) Protein RPA3574 from Rhodopseudomonas palustris refined with NH RDCs. Northeast Structural Genomics Consortium target RpR325
Descriptor: Putative thiamin biosynthesis ThiS
Authors:Ramelot, T.A, Cort, J.R, Lee, H, Wang, H, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Acton, T.B, Xiao, R, Swapna, G, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-06-16
Release date:2011-06-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of a Thiamine Biosynthesis (ThiS) Protein RPA3574 from Rhodopseudomonas palustris. Northeast Structural Genomics Consortium target RpR325
To be Published
7GT9
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BU of 7gt9 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000463b
Descriptor: (3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
3GV2
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BU of 3gv2 by Molmil
X-ray Structure of Hexameric HIV-1 CA
Descriptor: Capsid protein p24,Carbon dioxide-concentrating mechanism protein CcmK homolog 4
Authors:Kelly, B.N.
Deposit date:2009-03-30
Release date:2009-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (7 Å)
Cite:X-ray structures of the hexameric building block of the HIV capsid.
Cell(Cambridge,Mass.), 137, 2009
7GS8
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BU of 7gs8 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000466a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
2LEQ
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BU of 2leq by Molmil
Chemical Shift Assignment and Solution Structure of ChR145 from Cytophaga Hutchinsonii, Northeast Structural Genomics Consortium Target ChR145
Descriptor: Uncharacterized protein
Authors:Lee, H, Lee, D, Ciccosanti, C, Mao, L.R, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Prestegard, J.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-06-21
Release date:2011-08-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of ChR145.
To be Published
7GTI
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BU of 7gti by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000571a
Descriptor: 1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
6ZNR
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BU of 6znr by Molmil
MaeB PTA domain R535A mutant
Descriptor: Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.217 Å)
Cite:A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
7GSI
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BU of 7gsi by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000046b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-morpholin-4-ylaniline, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSH
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BU of 7gsh by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000530a
Descriptor: 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7D5Q
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BU of 7d5q by Molmil
Structure of NorC transporter (K398A mutant) in an outward-open conformation in complex with a single-chain Indian camelid antibody
Descriptor: Drug transporter, putative, ICab, ...
Authors:Kumar, S, Athreya, A, Penmatsa, A.
Deposit date:2020-09-27
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis of inhibition of a transporter from Staphylococcus aureus, NorC, through a single-domain camelid antibody.
Commun Biol, 4, 2021
2G5G
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BU of 2g5g by Molmil
Cofacial heme binding to ChaN of Campylobacter jejuni
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, putative lipoprotein
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2006-02-22
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cofacial Heme Binding is Linked to Dimerization by a Bacterial Heme Transport Protein.
J.Mol.Biol., 362, 2006
7OSG
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BU of 7osg by Molmil
ABC Transporter complex NosDFYL, consensus refinement
Descriptor: COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ...
Authors:Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O.
Deposit date:2021-06-08
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
5K2X
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BU of 5k2x by Molmil
Crystal structure of M. tuberculosis UspC (tetragonal crystal form)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, IODIDE ION, ...
Authors:Futterer, K, Fullam, E, Besra, G.S.
Deposit date:2016-05-19
Release date:2016-06-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars.
Open Biology, 6, 2016
7DK0
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BU of 7dk0 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7GTC
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BU of 7gtc by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00001145b
Descriptor: 1-phenylmethoxyurea, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7A84
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BU of 7a84 by Molmil
rsGreen0.7-K206A-F145H partially in the green-off state
Descriptor: Green fluorescent protein
Authors:De Zitter, E, Dedecker, P, Van Meervelt, L.
Deposit date:2020-08-30
Release date:2021-02-17
Last modified:2021-05-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7GSJ
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BU of 7gsj by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000543a
Descriptor: (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024

224004

数据于2024-08-21公开中

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