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8PH6
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BU of 8ph6 by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(DPhF)(CO3)3] in condition B
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C, Ru2(DPhF)(CO3)2(Formate), ...
Authors:Teran, A, Ferraro, G, Merlino, A.
Deposit date:2023-06-19
Release date:2023-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
7A5Z
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BU of 7a5z by Molmil
Structure of VIM-2 metallo-beta-lactamase with hydrolysed Faropenem imine product
Descriptor: (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, CHLORIDE ION, ...
Authors:Lucic, A, Schofield, C.J.
Deposit date:2020-08-24
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
7A60
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BU of 7a60 by Molmil
Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form)
Descriptor: (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-24
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
2P8E
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BU of 2p8e by Molmil
Crystal structure of the serine/threonine phosphatase domain of human PPM1B
Descriptor: MAGNESIUM ION, PPM1B beta isoform variant 6
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Lau, C, Xu, W, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-03-22
Release date:2007-04-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
6D6C
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BU of 6d6c by Molmil
The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 12
Descriptor: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate, HISTIDINE, Transcriptional activator protein LasR
Authors:Dong, S.H, Nair, S.K.
Deposit date:2018-04-20
Release date:2018-08-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR.
Cell Chem Biol, 25, 2018
3MB3
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BU of 3mb3 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP)
Descriptor: 1-methylpyrrolidin-2-one, PH-interacting protein
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-03-25
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
9GS1
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BU of 9gs1 by Molmil
Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with Oxaziclomefone
Descriptor: GLYCEROL, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ...
Authors:Montgomery, M.G.
Deposit date:2024-09-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Scaffold-hopping, Bioisosterism and Structure-Based Design in the Development of Novel Acyl-ACP Thioesterase (Fat) Inhibitors as Potential Herbicides
To Be Published
3UTO
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BU of 3uto by Molmil
Twitchin kinase region from C.elegans (Fn31-NL-kin-CRD-Ig26)
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Castelmur, E, Barbieri, S, Mayans, O.
Deposit date:2011-11-26
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of an N-terminal inhibitory extension as the primary mechanosensory regulator of twitchin kinase.
Proc.Natl.Acad.Sci.USA, 109, 2012
6SQX
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BU of 6sqx by Molmil
Insights into a novel NlpC/P60 Endopeptidase from Photobacterium damselae subsp. piscicida
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, CHLORIDE ION, ...
Authors:Lisboa, J, Pereira, P.J.B, dos Santos, N.M.S.
Deposit date:2019-09-04
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Secreted NlpC/P60 Endopeptidase from Photobacterium damselae subsp. piscicida Cleaves the Peptidoglycan of Potentially Competing Bacteria.
Msphere, 6, 2021
7RHD
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BU of 7rhd by Molmil
darkmRuby M94T/F96Y mutant at pH 7.5
Descriptor: 1,2-ETHANEDIOL, darkmRuby M94T/F96Y mutant
Authors:Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J.
Deposit date:2021-07-16
Release date:2022-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein
To Be Published
3E9B
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BU of 3e9b by Molmil
X-ray structure of rat arginase I-T135A mutant: the complex with BEC
Descriptor: Arginase-1, MANGANESE (II) ION, S-2-(BORONOETHYL)-L-CYSTEINE
Authors:Shishova, E.Y, Di Costanzo, L, Christianson, D.W.
Deposit date:2008-08-21
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009
3EFZ
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BU of 3efz by Molmil
Crystal Structure of a 14-3-3 protein from cryptosporidium parvum (cgd1_2980)
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein
Authors:Wernimont, A.K, Dong, A, Qiu, W, Lew, J, Wasney, G.A, Vedadi, M, Kozieradzki, I, Zhao, Y, Ren, H, Alam, Z, Lin, Y.H, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Hui, R, Brokx, S, Structural Genomics Consortium (SGC)
Deposit date:2008-09-10
Release date:2008-09-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Characterization of 14-3-3 proteins from Cryptosporidium parvum.
Plos One, 6, 2011
7A8S
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BU of 7a8s by Molmil
de novo designed ba8-barrel sTIM11 with an alpha-helical extension
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, sTIM11_h3
Authors:Shanmugaratnam, S, Wiese, J.G, Hocker, B.
Deposit date:2020-08-31
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Extension of a de novo TIM barrel with a rationally designed secondary structure element.
Protein Sci., 30, 2021
1MF8
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BU of 1mf8 by Molmil
Crystal Structure of human calcineurin complexed with cyclosporin A and human cyclophilin
Descriptor: CALCINEURIN B SUBUNIT ISOFORM 1, CALCIUM ION, CALMODULIN-DEPENDENT CALCINEURIN A SUBUNIT, ...
Authors:Jin, L, Harrison, S.C.
Deposit date:2002-08-09
Release date:2002-10-16
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Human Calcineurin Complexed with Cyclosporin a and Human Cyclophilin
Proc.Natl.Acad.Sci.USA, 99, 2002
1MMY
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BU of 1mmy by Molmil
Crystal structure of galactose mutarotase from Lactococcus lactis complexed with D-quinovose
Descriptor: Aldose 1-epimerase, SODIUM ION, alpha-D-quinovopyranose
Authors:Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M.
Deposit date:2002-09-04
Release date:2002-09-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis.
J.Biol.Chem., 277, 2002
1MNZ
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BU of 1mnz by Molmil
Atomic structure of Glucose isomerase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Nowak, E, Panjikar, S, Tucker, P.A.
Deposit date:2002-09-06
Release date:2002-09-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Atomic structure of Glucose isomerase
To be published
6SC4
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BU of 6sc4 by Molmil
Gamma-Carbonic Anhydrase from the Haloarchaeon Halobacterium sp.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CADMIUM ION, ...
Authors:Vogler, M, Karan, R, Renn, D, Vancea, A, Vielberg, V.-T, Groetzinger, S.W, DasSarma, P, Das Sarma, S, Eppinger, J, Groll, M, Rueping, M.
Deposit date:2019-07-23
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure and Active Site Engineering of a Halophilic gamma-Carbonic Anhydrase.
Front Microbiol, 11, 2020
6SY7
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BU of 6sy7 by Molmil
Structure of Trypanosome Brucei Phosphofructokinase in complex with AMP.
Descriptor: ADENOSINE MONOPHOSPHATE, ATP-dependent 6-phosphofructokinase, BENZENE, ...
Authors:McNae, I.W, Vasquez-Valdivieso, M.G, Walkinshaw, M.D.
Deposit date:2019-09-27
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Kinetic and structural studies of Trypanosoma and Leishmania phosphofructokinases show evolutionary divergence and identify AMP as a switch regulating glycolysis versus gluconeogenesis.
Febs J., 287, 2020
1MQR
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BU of 1mqr by Molmil
THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE (E386Q) FROM BACILLUS STEAROTHERMOPHILUS T-6
Descriptor: ALPHA-D-GLUCURONIDASE, GLYCEROL
Authors:Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
Deposit date:2002-09-17
Release date:2003-09-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
3E3D
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BU of 3e3d by Molmil
Structure of hen egg white lysozyme with the magic triangle I3C
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Lysozyme C
Authors:Beck, T, Gruene, T, Sheldrick, G.M.
Deposit date:2008-08-07
Release date:2008-10-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A magic triangle for experimental phasing of macromolecules
Acta Crystallogr.,Sect.D, 64, 2008
6SMF
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BU of 6smf by Molmil
THE CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM ZYMOMONAS MOBILIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinate dehydratase, CITRATE ANION, ...
Authors:Lapthorn, A.J, Roszak, A.W.
Deposit date:2019-08-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Biomacromolecular charge chirality detected using chiral plasmonic nanostructures
Nanoscale Horiz., 2020
4GAF
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BU of 4gaf by Molmil
Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra, bound to human Interleukin-1 receptor type 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EBI-005, Interleukin-1 receptor type 1, ...
Authors:Hou, J, Townson, S.A, Kovalchin, J.T, Masci, A, Kiner, O, Shu, Y, King, B, Thomas, C, Garcia, K.C, Furfine, E.S, Barnes, T.M.
Deposit date:2012-07-25
Release date:2013-02-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design of a superior cytokine antagonist for topical ophthalmic use.
Proc.Natl.Acad.Sci.USA, 110, 2013
3E6K
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BU of 3e6k by Molmil
X-ray structure of Human Arginase I: the mutant D183A in complex with ABH
Descriptor: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2008-08-15
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009
6DBB
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BU of 6dbb by Molmil
Crystal structure of a Putative aldehyde dehydrogenase family protein Burkholderia cenocepacia J2315 in complex with partially reduced NADH
Descriptor: 1,2-ETHANEDIOL, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-05-02
Release date:2018-08-29
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a Putative aldehyde dehydrogenase family protein Burkholderia cenocepacia J2315 in complex with partially reduced NADH
TO BE PUBLISHED
9G0C
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BU of 9g0c by Molmil
Structure of human Mical1 bMERB_V978A_V985A domain:Rab10 complex.
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-10, ...
Authors:Rai, A, Goody, R.S.
Deposit date:2024-07-08
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and structural insights into the auto-inhibited state of Mical1 and its activation by Rab8
Elife, 2024

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