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5FPI
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BU of 5fpi by Molmil
Mu2 adaptin subunit of the AP2 adaptor (C-terminal domain) complexed with Integrin alpha4 internalisation peptide QYKSILQE
Descriptor: AP-2 COMPLEX SUBUNIT MU, INTEGRIN ALPHA-4 SUBUNIT
Authors:Owen, D.J, Evans, P.R, Ivaska, J.
Deposit date:2015-11-30
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Selective Integrin Endocytosis is Driven by Alpha Chain:Ap2 Interactions
Nat.Struct.Mol.Biol., 23, 2016
4BAN
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BU of 4ban by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAK
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BU of 4bak by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-N-(4-CARBAMIMIDOYLBENZYL)-1-[(2R)-2-CYCLOHEXYL-2-{[2-OXO-2-(PROPYLAMINO)ETHYL]AMINO}ACETYL]AZETIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
3V3B
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BU of 3v3b by Molmil
Structure of the Stapled p53 Peptide Bound to Mdm2
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, SAH-p53-8 stapled-peptide
Authors:Baek, S, Kutchukian, P.S, Verdine, G.L, Huber, R, Holak, T.A, Ki Won, L, Popowicz, G.M.
Deposit date:2011-12-13
Release date:2012-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the stapled p53 peptide bound to Mdm2.
J.Am.Chem.Soc., 134, 2012
5YTM
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BU of 5ytm by Molmil
C135A mutant of copper-containing nitrite reductase from Geobacillus thermodenitrificans determined by in-ouse source
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETIC ACID, COPPER (II) ION, ...
Authors:Fukuda, Y, Matsusaki, T, Tse, K.M, Mizohata, E, Murphy, M.E.P, Inoue, T.
Deposit date:2017-11-19
Release date:2018-08-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic study of dioxygen chemistry in a copper-containing nitrite reductase from Geobacillus thermodenitrificans.
Acta Crystallogr D Struct Biol, 74, 2018
1EL9
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BU of 1el9 by Molmil
COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR [METHYLTHIO]ACETATE
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ...
Authors:Wagner, M.A, Trickey, P, Chen, Z.-W, Mathews, F.S, Jorns, M.S.
Deposit date:2000-03-13
Release date:2000-12-06
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Monomeric sarcosine oxidase: 1. Flavin reactivity and active site binding determinants.
Biochemistry, 39, 2000
4TYO
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BU of 4tyo by Molmil
PPIase in complex with a non-phosphate small molecule inhibitor.
Descriptor: 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Greasley, S.E, Ferre, R.A.
Deposit date:2014-07-08
Release date:2014-08-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket.
Bioorg.Med.Chem.Lett., 24, 2014
1EL8
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BU of 1el8 by Molmil
COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR [METHYLSELENO]CETATE
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ...
Authors:Wagner, M.A, Trickey, P, Chen, Z.-W, Mathews, F.S, Jorns, M.S.
Deposit date:2000-03-13
Release date:2000-12-06
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Monomeric sarcosine oxidase: 1. Flavin reactivity and active site binding determinants.
Biochemistry, 39, 2000
4ZFO
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BU of 4zfo by Molmil
J22.9-xi: chimeric mouse/human antibody against human BCMA (CD269)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, J22.9-xi Fab, ...
Authors:Marino, S.F, Daumke, O, Olal, D.
Deposit date:2015-04-21
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Potent anti-tumor response by targeting B cell maturation antigen (BCMA) in a mouse model of multiple myeloma.
Mol Oncol, 9, 2015
4U1O
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BU of 4u1o by Molmil
GluA2flip sLBD complexed with kainate and (R,R)-2b crystal form C
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2, N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-15
Release date:2014-08-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8501 Å)
Cite:Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
8JIT
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BU of 8jit by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist MEDI0382-bound human GCGR-Gs complex
Descriptor: Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T.
Deposit date:2023-05-27
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JIQ
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BU of 8jiq by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist Peptide 15-bound human GCGR-Gs complex
Descriptor: Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T.
Deposit date:2023-05-27
Release date:2023-09-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
6MML
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BU of 6mml by Molmil
Diheteromeric NMDA receptor GluN1/GluN2A in the '2-Knuckle-Asymmetric' conformation, in complex with glycine and glutamate, in the presence of 1 micromolar zinc chloride, and at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E.
Deposit date:2018-09-30
Release date:2018-11-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (7.14 Å)
Cite:Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
2L4K
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BU of 2l4k by Molmil
Water refined solution structure of the human Grb7-SH2 domain in complex with the 10 amino acid peptide pY1139
Descriptor: Growth factor receptor-bound protein 7, Receptor tyrosine-protein kinase erbB-2
Authors:Pias, S.C, Ivancic, M, Brescia, P.J, Johnson, D.L, Smith, D.E, Daly, R.J, Lyons, B.A.
Deposit date:2010-10-07
Release date:2010-11-17
Last modified:2012-10-03
Method:SOLUTION NMR
Cite:Water-Refined Solution Structure of the Human Grb7-SH2 Domain in Complex with the erbB2 Receptor Peptide pY1139.
Protein Pept.Lett., 19, 2012
6MMP
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BU of 6mmp by Molmil
Diheteromeric NMDA receptor GluN1/GluN2A in the '2-Knuckle-Symmetric' conformation, in complex with glycine and glutamate, in the presence of 0.1 millimolar EDTA, and at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E.
Deposit date:2018-10-01
Release date:2018-11-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (6.88 Å)
Cite:Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
4U1Z
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BU of 4u1z by Molmil
GluA2flip sLBD complexed with kainate and (R,R)-2b crystal form D
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2,Glutamate receptor 2, N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-16
Release date:2014-08-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9401 Å)
Cite:Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
4U21
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BU of 4u21 by Molmil
GluA2flip sLBD complexed with FW and (R,R)-2b crystal form E
Descriptor: 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2,Glutamate receptor 2, N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-16
Release date:2014-08-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3908 Å)
Cite:Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
4U22
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BU of 4u22 by Molmil
GluA2flip sLBD complexed with FW and (R,R)-2b crystal form D
Descriptor: 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2, N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-16
Release date:2014-08-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4409 Å)
Cite:Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
4U23
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BU of 4u23 by Molmil
GluA2flip sLBD complexed with FW and (R,R)-2b crystal form F
Descriptor: 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2,Glutamate receptor 2, N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-16
Release date:2014-08-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6734 Å)
Cite:Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
6N24
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BU of 6n24 by Molmil
BEST1 open state W287F mutant, calcium-free
Descriptor: Bestrophin homolog
Authors:Miller, A.N, Vaisey, G, Long, S.B.
Deposit date:2018-11-12
Release date:2019-01-23
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular mechanisms of gating in the calcium-activated chloride channel bestrophin.
Elife, 8, 2019
4EQ2
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BU of 4eq2 by Molmil
Crystal Structure Analysis of Chicken Interferon Gamma Receptor Alpha Chain
Descriptor: Interferon gamma receptor 1
Authors:Ping, Z, Qi, J, Lu, G, Shi, Y, Wang, X, Gao, G.F, Wang, M.
Deposit date:2012-04-18
Release date:2013-04-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Crystal structure of the interferon gamma receptor alpha chain from chicken reveals an undetected extra helix compared with the human counterparts.
J.Interferon Cytokine Res., 34, 2014
2XRS
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BU of 2xrs by Molmil
Crystal structures exploring the origins of the broader specificity of escherichia coli heat-labile enterotoxin compared to cholera toxin
Descriptor: HEAT-LABILE ENTEROTOXIN B CHAIN, beta-D-galactopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Holmner, A, Mackenzie, A, Okvist, M, Jansson, L, Lebens, M, Teneberg, S, Krengel, U.
Deposit date:2010-09-20
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal Structures Exploring the Origins of the Broader Specificity of Escherichia Coli Heat-Labile Enterotoxin Compared to Cholera Toxin
J.Mol.Biol., 406, 2011
3R1B
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BU of 3r1b by Molmil
Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
Descriptor: (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
Deposit date:2011-03-09
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
4JYZ
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BU of 4jyz by Molmil
Crystal structure of E. coli glutaminyl-tRNA synthetase bound to ATP and native tRNA(Gln) containing the cmnm5s2U34 anticodon wobble base
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Glutamine--tRNA ligase, RNA (72-MER), ...
Authors:Perona, J.J, Rodriguez-Hernandez, A.
Deposit date:2013-04-01
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Mechanistic Basis for Enhanced Translational Efficiency by 2-Thiouridine at the tRNA Anticodon Wobble Position.
J.Mol.Biol., 425, 2013
1DW1
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BU of 1dw1 by Molmil
STRUCTURE OF THE CYANIDE COMPLEX OF SHP, AN OXYGEN BINDING CYTOCHROME C
Descriptor: CYANIDE ION, CYTOCHROME C, HEME C
Authors:Leys, D, Backers, K, Meyer, T.E, Hagen, W.R, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:2000-01-24
Release date:2000-06-28
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of an oxygen-binding cytochrome c from Rhodobacter sphaeroides.
J.Biol.Chem., 275, 2000

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