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4US3
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BU of 4us3 by Molmil
Crystal Structure of the bacterial NSS member MhsT in an Occluded Inward-Facing State
Descriptor: DODECYL-ALPHA-D-MALTOSIDE, SODIUM ION, TRANSPORTER, ...
Authors:Malinauskaite, L, Quick, M, Reinhard, L, Lyons, J.A, Yano, H, Javitch, J.A, Nissen, P.
Deposit date:2014-07-02
Release date:2014-09-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:A Mechanism for Intracellular Release of Na+ by Neurotransmitter/Sodium Symporters
Nat.Struct.Mol.Biol., 21, 2014
4US4
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BU of 4us4 by Molmil
Crystal Structure of the Bacterial NSS Member MhsT in an Occluded Inward-Facing State (lipidic cubic phase form)
Descriptor: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, SODIUM ION, ...
Authors:Malinauskaite, L, Quick, M, Reinhard, L, Lyons, J.A, Yano, H, Javitch, J.A, Nissen, P.
Deposit date:2014-07-02
Release date:2014-09-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Mechanism for Intracellular Release of Na+ by Neurotransmitter/Sodium Symporters
Nat.Struct.Mol.Biol., 21, 2014
7XHW
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BU of 7xhw by Molmil
Crystal structure of metallo-beta-lactamase IMP-1
Descriptor: Beta-lactamase, ZINC ION
Authors:Yamamoto, K, Tanaka, H, Kurisu, G, Nakano, R, Yano, H, Sakai, H.
Deposit date:2022-04-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural insights into the substrate specificity of IMP-6 and IMP-1 metallo-beta-lactamases.
J.Biochem., 173, 2022
7XHX
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BU of 7xhx by Molmil
Crystal structure of metallo-beta-lactamase IMP-6
Descriptor: Beta-lactamase, ZINC ION
Authors:Yamamoto, K, Tanaka, H, Kurisu, G, Nakano, R, Yano, H, Sakai, H.
Deposit date:2022-04-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the substrate specificity of IMP-6 and IMP-1 metallo-beta-lactamases.
J.Biochem., 173, 2022
8JPW
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BU of 8jpw by Molmil
Crystal Structure of Single-chain L-Glutamate Oxidase Mutant from Streptomyces sp. X-119-6
Descriptor: 2-OXOGLUTARIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, L-glutamate oxidase, ...
Authors:Yamaguchi, H, Takahashi, K, Tatsumi, M, Tagami, U, Mizukoshi, T, Miyano, H, Sugiki, M.
Deposit date:2023-06-13
Release date:2023-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Development of a novel single-chain l-glutamate oxidase from Streptomyces sp. X-119-6 by inserting flexible linkers.
Enzyme.Microb.Technol., 170, 2023
7ERV
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BU of 7erv by Molmil
Crystal structure of L-histidine decarboxylase (C57S/C101V/C282V mutant) from Photobacterium phosphoreum
Descriptor: Histidine decarboxylase, IMIDAZOLE
Authors:Oda, Y, Nakata, K, Yamaguchi, H, Kashiwagi, T, Miyano, H, Mizukoshi, T.
Deposit date:2021-05-07
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the enhanced thermostability of cysteine substitution mutants of L-histidine decarboxylase from Photobacterium phosphoreum.
J.Biochem., 171, 2022
7ERU
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BU of 7eru by Molmil
Crystal structure of L-histidine decarboxylase (C57S mutant) from Photobacterium phosphoreum
Descriptor: Histidine decarboxylase
Authors:Oda, Y, Nakata, K, Yamaguchi, H, Kashiwagi, T, Miyano, H, Mizukoshi, T.
Deposit date:2021-05-07
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights into the enhanced thermostability of cysteine substitution mutants of L-histidine decarboxylase from Photobacterium phosphoreum.
J.Biochem., 171, 2022
5D47
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BU of 5d47 by Molmil
Crystal Structure of FABP4 in complex with 3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl] propanoic acid
Descriptor: 3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid, Fatty acid-binding protein, adipocyte
Authors:Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T.
Deposit date:2015-08-07
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
5D48
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BU of 5d48 by Molmil
Crystal Structure of FABP4 in complex with 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy) phenyl]-1H-indol-1-yl}propanoic acid
Descriptor: 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1H-indol-1-yl}propanoic acid, Fatty acid-binding protein, adipocyte, ...
Authors:Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T.
Deposit date:2015-08-07
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
5D4A
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BU of 5d4a by Molmil
Crystal Structure of FABP4 in complex with 3-(2-phenyl-1H-indol-1-yl)propanoic acid
Descriptor: 3-(2-phenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte
Authors:Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T.
Deposit date:2015-08-07
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
5D45
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BU of 5d45 by Molmil
Crystal Structure of FABP4 in complex with 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
Descriptor: 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte
Authors:Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T.
Deposit date:2015-08-07
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
7C8I
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BU of 7c8i by Molmil
Ambient temperature structure of Bifidobacgterium longum phosphoketolase with thiamine diphosphate and phosphoenol pyuruvate
Descriptor: CALCIUM ION, PHOSPHOENOLPYRUVATE, THIAMINE DIPHOSPHATE, ...
Authors:Nakata, K, Kashiwagi, T, Nango, E, Miyano, H, Mizukoshi, T, Iwata, S.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ambient temperature structure of phosphoketolase from Bifidobacterium longum determined by serial femtosecond X-ray crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
7C8H
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BU of 7c8h by Molmil
Ambient temperature structure of Bifidobacterium longum phosphoketolase with thiamine diphosphate
Descriptor: (2S)-2-hydroxybutanedioic acid, CALCIUM ION, MALONIC ACID, ...
Authors:Nakata, K, Kashiwagi, T, Nango, E, Miyano, H, Mizukoshi, T, Iwata, S.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ambient temperature structure of phosphoketolase from Bifidobacterium longum determined by serial femtosecond X-ray crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
6LXV
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BU of 6lxv by Molmil
Cryo-EM structure of phosphoketolase from Bifidobacterium longum
Descriptor: CALCIUM ION, Phosphoketolase, THIAMINE DIPHOSPHATE
Authors:Nakata, K, Miyazaki, N, Yamaguchi, H, Hirose, M, Miyano, H, Mizukoshi, T, Kashiwagi, T, Iwasaki, K.
Deposit date:2020-02-12
Release date:2021-02-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:High-resolution structure of phosphoketolase from Bifidobacterium longum determined by cryo-EM single-particle analysis.
J.Struct.Biol., 214, 2022
3W0T
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BU of 3w0t by Molmil
Human Glyoxalase I with an N-hydroxypyridone derivative inhibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide, ...
Authors:Fukami, T.A, Irie, M, Matsuura, T.
Deposit date:2012-11-02
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate
To be Published
3W0U
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BU of 3w0u by Molmil
human Glyoxalase I with an N-hydroxypyridone inhibitor
Descriptor: Lactoylglutathione lyase, N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide, ZINC ION
Authors:Fukami, T.A, Irie, M, Matsuura, T.
Deposit date:2012-11-02
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate
to be published
6KBR
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BU of 6kbr by Molmil
Crystal structure of Human KLK4 and SPINK2 derived KLK4 inhibitor complex
Descriptor: GLYCEROL, K41043, Kallikrein-4
Authors:Kawaguchi, Y, Nishimiya, D.
Deposit date:2019-06-26
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:A protein scaffold, engineered SPINK2, for generation of inhibitors with high affinity and specificity against target proteases.
Sci Rep, 9, 2019
3A4P
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BU of 3a4p by Molmil
human c-MET kinase domain complexed with 6-benzyloxyquinoline inhibitor
Descriptor: (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide, CHLORIDE ION, Hepatocyte growth factor receptor, ...
Authors:Fukami, T.A, Kadono, S, Yamamuro, M, Matsuura, T.
Deposit date:2009-07-13
Release date:2010-02-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3VW9
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BU of 3vw9 by Molmil
Human Glyoxalase I with an N-hydroxypyridone inhibitor
Descriptor: 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, ...
Authors:Fukami, T.A, Irie, M, Matsuura, T.
Deposit date:2012-08-10
Release date:2012-12-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Design and evaluation of azaindole-substituted N-hydroxypyridones as glyoxalase I inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VHA
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BU of 3vha by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VHD
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BU of 3vhd by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840
Descriptor: 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VHC
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BU of 3vhc by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor
Descriptor: 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
1IYY
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BU of 1iyy by Molmil
NMR STRUCTURE OF Gln25-RIBONUCLEASE T1, 24 STRUCTURES
Descriptor: RIBONUCLEASE T1
Authors:Hatano, K, Kojima, M, Suzuki, E, Tanokura, M, Takahashi, K.
Deposit date:2002-09-12
Release date:2003-10-07
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Determination of the NMR structure of Gln25-ribonuclease T1.
Biol. Chem., 384, 2003

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