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4JL1
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BU of 4jl1 by Molmil
Crystal structure of a bacterial fucosidase with a multivalent iminocyclitol inhibitor
Descriptor: (3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide, GLYCEROL, IMIDAZOLE, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-03-12
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Exploring a Multivalent Approach to alpha-L-Fucosidase Inhibition
EUR.J.ORG.CHEM., 2013, 2013
6CXC
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BU of 6cxc by Molmil
3.9A Cryo-EM structure of murine antibody bound at a novel epitope of respiratory syncytial virus fusion protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Envelope glycoprotein chimera, ...
Authors:Xie, Q, Wang, Z, Chen, X, Ni, F, Ma, J, Wang, Q.
Deposit date:2018-04-02
Release date:2019-07-31
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure basis of neutralization by a novel site II/IV antibody against respiratory syncytial virus fusion protein.
Plos One, 14, 2019
2DTJ
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BU of 2dtj by Molmil
Crystal structure of regulatory subunit of aspartate kinase from Corynebacterium glutamicum
Descriptor: Aspartokinase, CITRIC ACID, THREONINE
Authors:Yoshida, A, Tomita, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
Deposit date:2006-07-12
Release date:2007-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Insight into Concerted Inhibition of alpha(2)beta(2)-Type Aspartate Kinase from Corynebacterium glutamicum
J.Mol.Biol., 368, 2007
1XSO
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BU of 1xso by Molmil
THREE-DIMENSIONAL STRUCTURE OF XENOPUS LAEVIS CU,ZN SUPEROXIDE DISMUTASE B DETERMINED BY X-RAY CRYSTALLOGRAPHY AT 1.5 ANGSTROMS RESOLUTION
Descriptor: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
Authors:Djinovic Carugo, K, Coda, A, Battistoni, A, Carri, M.T, Polticelli, F, Desideri, A, Rotilio, G, Wilson, K.S, Bolognesi, M.
Deposit date:1995-03-14
Release date:1995-07-10
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Three-dimensional structure of Xenopus laevis Cu,Zn superoxide dismutase b determined by X-ray crystallography at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
7BNU
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BU of 7bnu by Molmil
VDR complex with BXL-62
Descriptor: 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N, Belorusova, A.Y.
Deposit date:2021-01-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants.
Int J Mol Sci, 23, 2022
7BNS
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BU of 7bns by Molmil
VDR complex with BXL-62
Descriptor: 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N, Belorusova, A.Y.
Deposit date:2021-01-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants.
Int J Mol Sci, 23, 2022
8G4A
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BU of 8g4a by Molmil
Human ARNT PAS-B complexed with KG-548 small molecule
Descriptor: 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole, Aryl hydrocarbon receptor nuclear translocator
Authors:Xu, X, Isiorho, E.A, Pimentel Marcelino, L, Gardner, K.H.
Deposit date:2023-02-08
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Use of High Pressure NMR Spectroscopy to Rapidly Identify Proteins with Internal Ligand-Binding Voids
To Be Published
1QLQ
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BU of 1qlq by Molmil
Bovine Pancreatic Trypsin Inhibitor (BPTI) Mutant with Altered Binding Loop Sequence
Descriptor: PANCREATIC TRYPSIN INHIBITOR, SULFATE ION
Authors:Czapinska, H, Krzywda, S, Sheldrick, G.M, Otlewski, J, Jaskolski, M.
Deposit date:1999-09-10
Release date:1999-10-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:High Resolution Structure of Bovine Pancreatic Trypsin Inhibitor with Altered Binding Loop Sequence
J.Mol.Biol., 295, 1999
3MKM
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BU of 3mkm by Molmil
Crystal structure of the E. coli pyrimidine nucleoside hydrolase YeiK (Apo-form)
Descriptor: CALCIUM ION, Putative uncharacterized protein YeiK
Authors:Garau, G, Fornili, A, Giabbai, B, Degano, M.
Deposit date:2010-04-15
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Energy Landscapes Associated with Macromolecular Conformational Changes from Endpoint Structures
J.Am.Chem.Soc., 132, 2010
3D1H
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BU of 3d1h by Molmil
Structure of the PTP-Like Phytase Expressed by Selenomonas Ruminantium at an Ionic Strength of 500 mM
Descriptor: GLYCEROL, Myo-inositol hexaphosphate phosphohydrolase
Authors:Gruninger, R.J, Selinger, L.B, Mosimann, S.C.
Deposit date:2008-05-05
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Effect of ionic strength and oxidation on the P-loop conformation of the protein tyrosine phosphatase-like phytase, PhyAsr.
Febs J., 275, 2008
4DHF
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BU of 4dhf by Molmil
Structure of Aurora A mutant bound to Biogenidec cpd 15
Descriptor: 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Aurora kinase A, MAGNESIUM ION, ...
Authors:Silvian, L, Marcotte, D.J.
Deposit date:2012-01-27
Release date:2012-07-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3D1Q
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BU of 3d1q by Molmil
Structure of the PTP-Like Phytase Expressed by Selenomonas Ruminantium at an Ionic Strength of 400 mM
Descriptor: CHLORIDE ION, GLYCEROL, Myo-inositol hexaphosphate phosphohydrolase
Authors:Gruninger, R.J, Selinger, L.B, Mosimann, S.C.
Deposit date:2008-05-06
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Effect of ionic strength and oxidation on the P-loop conformation of the protein tyrosine phosphatase-like phytase, PhyAsr.
Febs J., 275, 2008
7KI6
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BU of 7ki6 by Molmil
Structure of the HeV F glycoprotein in complex with the 1F5 neutralizing antibody
Descriptor: 1F5 Fab light chain, 1F5 heavy chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dang, H.V, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2020-10-23
Release date:2021-05-05
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Broadly neutralizing antibody cocktails targeting Nipah virus and Hendra virus fusion glycoproteins.
Nat.Struct.Mol.Biol., 28, 2021
7KI4
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BU of 7ki4 by Molmil
Structure of the NiV F glycoprotein in complex with the 12B2 neutralizing antibody
Descriptor: 12B2 Fab light chain, 12B2 heavy chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dang, H.V, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2020-10-23
Release date:2021-05-05
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Broadly neutralizing antibody cocktails targeting Nipah virus and Hendra virus fusion glycoproteins.
Nat.Struct.Mol.Biol., 28, 2021
7BO6
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BU of 7bo6 by Molmil
VDR complex with LCA derivative
Descriptor: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N.
Deposit date:2021-01-24
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Lithocholic acid-based design of noncalcemic vitamin D receptor agonists.
Bioorg.Chem., 111, 2021
2PT0
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BU of 2pt0 by Molmil
Structure of Selenomonas ruminantium PTP-like phytase with the active site cysteine oxidized to cysteine-sulfonic acid
Descriptor: GLYCEROL, Myo-inositol hexaphosphate phosphohydrolase
Authors:Gruninger, R.J, Selinger, L.B, Mosimann, S.C.
Deposit date:2007-05-07
Release date:2008-05-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Effect of ionic strength and oxidation on the P-loop conformation of the protein tyrosine phosphatase-like phytase, PhyAsr.
Febs J., 275, 2008
2PSZ
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BU of 2psz by Molmil
Structure of the PTP-like Phytase expressed by Selenomonas ruminantium at low ionic strength
Descriptor: GLYCEROL, Myo-inositol hexaphosphate phosphohydrolase
Authors:Gruninger, R.J, Selinger, L.B, Mosimann, S.C.
Deposit date:2007-05-07
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effect of ionic strength and oxidation on the P-loop conformation of the protein tyrosine phosphatase-like phytase, PhyAsr.
Febs J., 275, 2008
4KBS
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BU of 4kbs by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 phosphatidic acid (12:0 PA)
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-ETHANEDIOL, Glycolipid transfer protein domain-containing protein 1
Authors:Simanshu, D.K, Brown, R.E, Patel, D.J.
Deposit date:2013-04-23
Release date:2013-07-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4QO2
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BU of 4qo2 by Molmil
Crystal structure of rhomboid intramembrane protease GlpG in complex with peptide derived inhibitor Ac-IATA-cmk
Descriptor: 6-AMINO-2-METHYL-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, CHLORIDE ION, Rhomboid protease GlpG, ...
Authors:Zoll, S, Strisovsky, K.
Deposit date:2014-06-19
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substrate binding and specificity of rhomboid intramembrane protease revealed by substrate-peptide complex structures.
Embo J., 33, 2014
5PTI
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BU of 5pti by Molmil
STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II
Descriptor: PHOSPHATE ION, TRYPSIN INHIBITOR, UNKNOWN ATOM OR ION
Authors:Wlodawer, A, Huber, R.
Deposit date:1984-10-05
Release date:1984-10-29
Last modified:2018-10-24
Method:NEUTRON DIFFRACTION (1 Å), X-RAY DIFFRACTION
Cite:Structure of bovine pancreatic trypsin inhibitor. Results of joint neutron and X-ray refinement of crystal form II
J.Mol.Biol., 180, 1984
4MGS
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BU of 4mgs by Molmil
BiXyn10A CBM1 APO
Descriptor: Putative glycosyl hydrolase family 10
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2013-08-28
Release date:2014-08-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
2DWS
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BU of 2dws by Molmil
Cu-containing nitrite reductase at pH 8.4 with bound nitrite
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
Authors:Jacobson, F.
Deposit date:2006-08-16
Release date:2006-12-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:pH Dependence of Copper Geometry, Reduction Potential, and Nitrite Affinity in Nitrite Reductase
J.Biol.Chem., 282, 2007
4MGQ
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BU of 4mgq by Molmil
PbXyn10C CBM APO
Descriptor: CALCIUM ION, Glycosyl hydrolase family 10
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2013-08-28
Release date:2014-08-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QO0
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BU of 4qo0 by Molmil
Crystal structure of rhomboid intramembrane protease GlpG in complex with peptide derived inhibitor Ac-FATA-cmk
Descriptor: ACE-PHE-ALA-THR-ALA-0QE, CHLORIDE ION, Rhomboid protease GlpG, ...
Authors:Zoll, S, Strisovsky, K.
Deposit date:2014-06-19
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Substrate binding and specificity of rhomboid intramembrane protease revealed by substrate-peptide complex structures.
Embo J., 33, 2014
3RWQ
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BU of 3rwq by Molmil
Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)
Descriptor: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Kazmirski, S, Kohls, D.
Deposit date:2011-05-09
Release date:2011-11-16
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011

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