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1CAR
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BU of 1car by Molmil
I-CARRAGEENAN. MOLECULAR STRUCTURE AND PACKING OF POLYSACCHARIDE DOUBLE HELICES IN ORIENTED FIBRES OF DIVALENT CATION SALTS
Descriptor: 4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose
Authors:Arnott, S.
Deposit date:1978-05-23
Release date:1980-03-28
Last modified:2024-02-07
Method:FIBER DIFFRACTION (3 Å)
Cite:Iota-carrageenan: molecular structure and packing of polysaccharide double helices in oriented fibres of divalent cation salts.
J.Mol.Biol., 90, 1974
4L6B
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BU of 4l6b by Molmil
Endothiapepsin in complex with thiophen-based inhibitor SAP128
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Park, A, Heine, A, Klebe, G.
Deposit date:2013-06-12
Release date:2014-06-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Endothiapepsin in Complex with Thiophen based Inhibitors
To be Published
4L51
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BU of 4l51 by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: 5-O-phosphono-alpha-D-ribofuranose, Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-10
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4L5J
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BU of 4l5j by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: 5-O-phosphono-alpha-D-ribofuranose, Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-11
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4L5I
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BU of 4l5i by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-11
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4LAP
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BU of 4lap by Molmil
Endothiapepsin in complex with thiophen-based inhibitor SAP114
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Park, A, Heine, A, Klebe, G.
Deposit date:2013-06-20
Release date:2014-12-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Endothiapepsin in Complex with Thiophen based Inhibitors
To be Published
1CLL
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BU of 1cll by Molmil
CALMODULIN STRUCTURE REFINED AT 1.7 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, CALMODULIN, ETHANOL
Authors:Chattopadhyaya, R, Quiocho, F.A.
Deposit date:1992-09-29
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Calmodulin structure refined at 1.7 A resolution.
J.Mol.Biol., 228, 1992
1AGA
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BU of 1aga by Molmil
THE AGAROSE DOUBLE HELIX AND ITS FUNCTION IN AGAROSE GEL STRUCTURE
Descriptor: beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose
Authors:Arnott, S.
Deposit date:1978-05-23
Release date:1980-03-28
Last modified:2024-02-07
Method:FIBER DIFFRACTION (3 Å)
Cite:The agarose double helix and its function in agarose gel structure.
J.Mol.Biol., 90, 1974
4L4Z
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BU of 4l4z by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: (2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate, Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-10
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4L50
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BU of 4l50 by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: (2S)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate, Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-10
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4L4Y
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BU of 4l4y by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-10
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4LZ7
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BU of 4lz7 by Molmil
Crystal structures of GLuR2 ligand-binding-domain in complex with glutamate and positive allosteric modulators
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, N-({(5S)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide, ...
Authors:Pandit, J.
Deposit date:2013-07-31
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Characterization of a Novel Dihydroisoxazole Class of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators.
J.Med.Chem., 56, 2013
4LZ5
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BU of 4lz5 by Molmil
Crystal structures of GLuR2 ligand-binding-domain in complex with glutamate and positive allosteric modulators
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, N-[(2R)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide, ...
Authors:Pandit, J.
Deposit date:2013-07-31
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery and Characterization of a Novel Dihydroisoxazole Class of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators.
J.Med.Chem., 56, 2013
4LZ8
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BU of 4lz8 by Molmil
Crystal structures of GLuR2 ligand-binding-domain in complex with glutamate and positive allosteric modulators
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, N-[(3S)-1-{2-fluoro-4-[(5S)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide, ...
Authors:Pandit, J.
Deposit date:2013-07-31
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Characterization of a Novel Dihydroisoxazole Class of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators.
J.Med.Chem., 56, 2013
4MLE
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BU of 4mle by Molmil
Human Glucokinase in Complex with Novel Amino Thiazole Activator
Descriptor: 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose
Authors:Voegtli, W.C.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
4MLH
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BU of 4mlh by Molmil
Human Glucokinase in Complex with a Novel Amino Thiazole Allosteric Activator
Descriptor: 3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose
Authors:Voegtli, W.C.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
6ZOD
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BU of 6zod by Molmil
Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer
Descriptor: 1,2-ETHANEDIOL, DARPIN, DECANE, ...
Authors:Oswald, C, Tam, H.K, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
4SGA
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BU of 4sga by Molmil
STRUCTURES OF PRODUCT AND INHIBITOR COMPLEXES OF STREPTOMYCES GRISEUS PROTEASE A AT 1.8 ANGSTROMS RESOLUTION. A MODEL FOR SERINE PROTEASE CATALYSIS
Descriptor: PROTEINASE A (SGPA), TETRAPEPTIDE ACE-PRO-ALA-PRO-PHE
Authors:Sielecki, A.R, James, M.N.G.
Deposit date:1990-05-29
Release date:1991-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of product and inhibitor complexes of Streptomyces griseus protease A at 1.8 A resolution. A model for serine protease catalysis.
J.Mol.Biol., 144, 1980
4PHV
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BU of 4phv by Molmil
X-RAY CRYSTAL STRUCTURE OF THE HIV PROTEASE COMPLEX WITH L-700,417, AN INHIBITOR WITH PSEUDO C2 SYMMETRY
Descriptor: HIV-1 PROTEASE, N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
Authors:Bone, R.
Deposit date:1991-10-04
Release date:1993-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-Ray Crystal Structure of the HIV Protease Complex with L-700,417, an Inhibitor with Pseudo C2 Symmetry
J.Am.Chem.Soc., 113, 1991
5EZP
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BU of 5ezp by Molmil
Human transthyretin (TTR) complexed with 4-hydroxy-chalcone
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-chalcone, Transthyretin
Authors:Polsinelli, I, Nencetti, S, Shepard, W.E, Orlandini, E, Stura, E.A.
Deposit date:2015-11-26
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new crystal form of human transthyretin obtained with a curcumin derived ligand.
J.Struct.Biol., 194, 2016
2ADM
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BU of 2adm by Molmil
ADENINE-N6-DNA-METHYLTRANSFERASE TAQI
Descriptor: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYLMETHIONINE
Authors:Schluckebier, G, Saenger, W.
Deposit date:1996-07-15
Release date:1997-01-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
3EKF
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BU of 3ekf by Molmil
Crystal structure of the A264Q heme domain of cytochrome P450 BM3
Descriptor: Cytochrome P450(BM-3), PROTOPORPHYRIN IX CONTAINING FE
Authors:Toogood, H.S, Leys, D.
Deposit date:2008-09-19
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel haem co-ordination variants of flavocytochrome P450BM3.
Biochem.J., 417, 2009
3E4Y
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BU of 3e4y by Molmil
Crystal structure of a 33kDa catalase-related protein from Mycobacterium avium subsp. paratuberculosis. I2(1)2(1)2(1) crystal form
Descriptor: GLYCEROL, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Pakhomova, S, Newcomer, M.E.
Deposit date:2008-08-12
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure and peroxidase activity of a 33-kDa catalase-related protein from Mycobacterium avium ssp. paratuberculosis.
Protein Sci., 18, 2009
3EGK
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BU of 3egk by Molmil
KNOBLE Inhibitor
Descriptor: Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ...
Authors:Baum, B, Heine, A, Klebe, G, Muenzel, M.
Deposit date:2008-09-10
Release date:2008-09-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding
Angew.Chem.Int.Ed.Engl., 46, 2007
3VAC
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BU of 3vac by Molmil
Crystal Structure of the CFA/I Enterotoxigenic E. coli adhesin CfaE mutant G168D
Descriptor: CFA/I fimbrial subunit E
Authors:Liu, Y, Esser, L, Xia, D.
Deposit date:2011-12-29
Release date:2013-02-20
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Tight Conformational Coupling between the Domains of the Enterotoxigenic Escherichia coli Fimbrial Adhesin CfaE Regulates Binding State Transition.
J.Biol.Chem., 288, 2013

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