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7QPJ
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BU of 7qpj by Molmil
Crystal structure of engineered TCR (756) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J.
Deposit date:2022-01-04
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy.
J Immunother Cancer, 10, 2022
6CPW
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BU of 6cpw by Molmil
Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology
Descriptor: (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Hruza, A, Hruza, A.
Deposit date:2018-03-14
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
6B5P
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BU of 6b5p by Molmil
Structure of PfCSP peptide 20 with human antibody CIS42
Descriptor: CIS42 Fab Heavy chain, CIS42 Fab Light chain, pfCSP peptide 20: ASN-PRO-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL-ASP
Authors:Pancera, M, Weidle, C.
Deposit date:2017-09-29
Release date:2018-03-21
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B5R
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BU of 6b5r by Molmil
Structure of PfCSP peptide 21 with human antibody CIS42
Descriptor: CIS42 Fab Heavy chain, CIS42 Fab Light chain, PfCSP peptide 21: ASN-PRO-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL-ASP-PRO-ASN
Authors:Pancera, M, Weidle, C.
Deposit date:2017-09-29
Release date:2018-03-21
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.775 Å)
Cite:A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
5BUU
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BU of 5buu by Molmil
Crystal structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM-321 at 2.07 A resolution
Descriptor: (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, 1,2-ETHANEDIOL, GLUTAMIC ACID, ...
Authors:Larsen, A.P, Tapken, D, Frydenvang, K, Kastrup, J.S.
Deposit date:2015-06-04
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Synthesis and Pharmacology of Mono-, Di-, and Trialkyl-Substituted 7-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides Combined with X-ray Structure Analysis to Understand the Unexpected Structure-Activity Relationship at AMPA Receptors.
Acs Chem Neurosci, 7, 2016
5D9Q
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BU of 5d9q by Molmil
Crystal Structure of the BG505 SOSIP gp140 HIV-1 Env trimer in Complex with the Broadly Neutralizing Fab PGT122 and scFv NIH45-46
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Julien, J.-P, Stanfield, R.L, Ward, A.B, Wilson, I.A.
Deposit date:2015-08-18
Release date:2016-08-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Minimally Mutated HIV-1 Broadly Neutralizing Antibodies to Guide Reductionist Vaccine Design.
Plos Pathog., 12, 2016
4BL9
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BU of 4bl9 by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I)
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4BLB
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BU of 4blb by Molmil
Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, ZINC FINGER PROTEIN GLI1, ...
Authors:Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
8UH4
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BU of 8uh4 by Molmil
Cryo-EM structure of Maize Streak Virus (MSV) - single head Geminivirus
Descriptor: Capsid protein, genomic DNA
Authors:Bennett, A.B, McKenna, R, Mietzsch, M, Hull, J.A.
Deposit date:2023-10-06
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:The Two States of MSV Gemini Capsid Assembly
To Be Published
4BLD
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BU of 4bld by Molmil
Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, TRANSCRIPTIONAL ACTIVATOR GLI3, ...
Authors:Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4BL8
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BU of 4bl8 by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU)
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Karlstrom, M, Finta, C, Cherry, A.L, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4BLA
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BU of 4bla by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II)
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG
Authors:Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
9LPR
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BU of 9lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-LEUCINE 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 (2.2 Å)
Cite:Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
1P10
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BU of 1p10 by Molmil
STRUCTURAL PLASTICITY AS A DETERMINANT OF ENZYME SPECIFICITY. CREATING BROADLY SPECIFIC PROTEASES
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-VALINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1989-04-24
Release date:1990-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural plasticity broadens the specificity of an engineered protease.
Nature, 339, 1989
1P03
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BU of 1p03 by Molmil
STRUCTURE ANALYSIS OF SPECIFICITY. ALPHA-LYTIC PROTEASE COMPLEXES WITH ANALOGUES OF REACTION INTERMEDIATES
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-VALINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1989-04-24
Release date:1990-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural analysis of specificity: alpha-lytic protease complexes with analogues of reaction intermediates.
Biochemistry, 28, 1989
1P09
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BU of 1p09 by Molmil
STRUCTURAL PLASTICITY AS A DETERMINANT OF ENZYME SPECIFICITY. CREATING BROADLY SPECIFIC PROTEASES
Descriptor: ALPHA-LYTIC PROTEASE, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1989-04-24
Release date:1990-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural plasticity broadens the specificity of an engineered protease.
Nature, 339, 1989
1P04
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BU of 1p04 by Molmil
STRUCTURE ANALYSIS OF SPECIFICITY. ALPHA-LYTIC PROTEASE COMPLEXES WITH ANALOGUES OF REACTION INTERMEDIATES
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-ISOLEUCINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1989-04-24
Release date:1990-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural analysis of specificity: alpha-lytic protease complexes with analogues of reaction intermediates.
Biochemistry, 28, 1989
1P05
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BU of 1p05 by Molmil
STRUCTURE ANALYSIS OF SPECIFICITY. ALPHA-LYTIC PROTEASE COMPLEXES WITH ANALOGUES OF REACTION INTERMEDIATES
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-NORLEUCINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1989-04-24
Release date:1990-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of specificity: alpha-lytic protease complexes with analogues of reaction intermediates.
Biochemistry, 28, 1989
1P06
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BU of 1p06 by Molmil
STRUCTURE ANALYSIS OF SPECIFICITY. ALPHA-LYTIC PROTEASE COMPLEXES WITH ANALOGUES OF REACTION INTERMEDIATES
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-PHENYLALANINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1989-04-24
Release date:1990-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural analysis of specificity: alpha-lytic protease complexes with analogues of reaction intermediates.
Biochemistry, 28, 1989
1P02
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BU of 1p02 by Molmil
STRUCTURE ANALYSIS OF SPECIFICITY. ALPHA-LYTIC PROTEASE COMPLEXES WITH ANALOGUES OF REACTION INTERMEDIATES
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1989-04-24
Release date:1990-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of specificity: alpha-lytic protease complexes with analogues of reaction intermediates.
Biochemistry, 28, 1989
1QBB
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BU of 1qbb by Molmil
BACTERIAL CHITOBIASE COMPLEXED WITH CHITOBIOSE (DINAG)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITOBIASE, SULFATE ION
Authors:Tews, I, Perrakis, A, Oppenheim, A, Dauter, Z, Wilson, K.S, Vorgias, C.E.
Deposit date:1996-06-07
Release date:1997-02-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bacterial chitobiase structure provides insight into catalytic mechanism and the basis of Tay-Sachs disease.
Nat.Struct.Biol., 3, 1996
1QBA
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BU of 1qba by Molmil
BACTERIAL CHITOBIASE, GLYCOSYL HYDROLASE FAMILY 20
Descriptor: CHITOBIASE, SULFATE ION
Authors:Tews, I, Perrakis, A, Oppenheim, A, Dauter, Z, Wilson, K.S, Vorgias, C.E.
Deposit date:1996-06-06
Release date:1997-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bacterial chitobiase structure provides insight into catalytic mechanism and the basis of Tay-Sachs disease.
Nat.Struct.Biol., 3, 1996
2ITG
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BU of 2itg by Molmil
CATALYTIC DOMAIN OF HIV-1 INTEGRASE: ORDERED ACTIVE SITE IN THE F185H CONSTRUCT
Descriptor: HUMAN IMMUNODEFICIENCY VIRUS-1 INTEGRASE
Authors:Bujacz, G, Alexandratos, J, Wlodawer, A, Zhou-Liu, Q, Clement-Mella, C.
Deposit date:1996-09-13
Release date:1997-03-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The catalytic domain of human immunodeficiency virus integrase: ordered active site in the F185H mutant.
FEBS Lett., 398, 1996
2KJ3
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BU of 2kj3 by Molmil
High-resolution structure of the HET-s(218-289) prion in its amyloid form obtained by solid-state NMR
Descriptor: Small s protein
Authors:Van Melckebeke, H, Wasmer, C, Lange, A, AB, E, Loquet, A, Meier, B.H.
Deposit date:2009-05-20
Release date:2010-06-02
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:Atomic-Resolution Three-Dimensional Structure of HET-s(218-289) Amyloid Fibrils by Solid-State NMR Spectroscopy
J.Am.Chem.Soc., 132, 2010
2I4P
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BU of 2i4p by Molmil
Crystal structure of the complex between PPARgamma and the partial agonist LT127 (ureidofibrate derivative). Structure obtained from crystals of the apo-form soaked for 30 days.
Descriptor: (2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Mazza, F.
Deposit date:2006-08-22
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands.
J.Biol.Chem., 282, 2007

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