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5JSK
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BU of 5jsk by Molmil
The 3D structure of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough in the reduced state at 0.95 Angstrom resolution
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, GLYCEROL, ...
Authors:Marques, M.C, Pereira, I.A.C, Matias, P.M.
Deposit date:2016-05-08
Release date:2017-03-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis.
Nat. Chem. Biol., 13, 2017
8CNF
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BU of 8cnf by Molmil
Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-02-22
Release date:2024-03-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
7SJJ
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BU of 7sjj by Molmil
Crystal structure of photoactive yellow protein (PYP); F96oCNF construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Weaver, J.B, Kirsh, J.M, Boxer, S.G.
Deposit date:2021-10-17
Release date:2022-05-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
4G9S
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BU of 4g9s by Molmil
Crystal structure of Escherichia coli PliG in complex with Atlantic salmon g-type lysozyme
Descriptor: CHLORIDE ION, CITRATE ANION, Goose-type lysozyme, ...
Authors:Leysen, S, Vanderkelen, L, Weeks, S.D, Michiels, C.W, Strelkov, S.V.
Deposit date:2012-07-24
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural basis of bacterial defense against g-type lysozyme-based innate immunity.
Cell.Mol.Life Sci., 70, 2013
6RI8
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BU of 6ri8 by Molmil
Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by fluoride anions at sub-atomic resolution. Third structure of the series with 800 KGy dose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, FLUORIDE ION, ...
Authors:Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
Deposit date:2019-04-23
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism.
Acta Crystallogr D Struct Biol, 75, 2019
7FXF
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BU of 7fxf by Molmil
Crystal Structure of human FABP4 in complex with 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
Descriptor: 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
5XP6
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BU of 5xp6 by Molmil
native structure of NDM-1 crystallized at pH5.5
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Ma, G, Lai, J, Sun, H.
Deposit date:2017-06-01
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
7G05
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BU of 7g05 by Molmil
Crystal Structure of human FABP4 in complex with 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
Descriptor: 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
6RQI
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BU of 6rqi by Molmil
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-fluorobenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-05-15
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
4XDX
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BU of 4xdx by Molmil
The crystal structure of soluble human interleukin 8 expressed in Pichia pastoris
Descriptor: Interleukin-8
Authors:Ostrov, D.A, Pompeu, Y.A, Jakoncic, J.J.
Deposit date:2014-12-20
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:The crystal structure of soluble human interleukin 8 expressed in Pichia pastoris
To Be Published
7VI4
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BU of 7vi4 by Molmil
Electron crystallographic structure of TIA-1 prion-like domain, A381T mutant
Descriptor: TIA-1 prion-like domain
Authors:Takaba, K, Maki-Yonekura, S, Sekiyama, N, Imamura, K, Kodama, T, Tochio, H, Yonekura, K.
Deposit date:2021-09-24
Release date:2022-09-28
Method:ELECTRON CRYSTALLOGRAPHY (0.95 Å)
Cite:ALS mutations in the TIA-1 prion-like domain trigger highly condensed pathogenic structures.
Proc.Natl.Acad.Sci.USA, 119, 2022
7G1Y
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BU of 7g1y by Molmil
Crystal Structure of human FABP4 in complex with 2-[(3-methoxyphenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid
Descriptor: 2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Grenz-Achim, K, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
5MEH
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BU of 5meh by Molmil
Crystal structure of alpha-1,2-mannosidase from Caulobacter K31 strain in complex with 1-deoxymannojirimycin
Descriptor: 1-DEOXYMANNOJIRIMYCIN, ACETATE ION, CALCIUM ION, ...
Authors:Males, A, Davies, G.J.
Deposit date:2016-11-14
Release date:2016-12-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Conformational Behaviour of Azasugars Based on Mannuronic Acid.
Chembiochem, 18, 2017
7LTV
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BU of 7ltv by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 3
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-20
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7FWK
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BU of 7fwk by Molmil
Crystal Structure of human FABP4 in complex with 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide
Descriptor: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, FORMIC ACID, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
1N1P
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BU of 1n1p by Molmil
ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @ pH 7.4 (STREPTOMYCES SP. SA-COO)
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Vrielink, A, Lario, P.I.
Deposit date:2002-10-18
Release date:2003-10-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Atomic Resolution Density Maps Reveal Secondary Structure Dependent Differences in Electronic Distribution
J.Am.Chem.Soc., 125, 2003
1N4U
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BU of 1n4u by Molmil
CHOLESTEROL OXIDASE FROM STREPTOMYCES @ pH 4.5 (STREPTOMYCES SP. SA-COO)
Descriptor: Cholesterol oxidase, FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Vrielink, A, Lario, P.I.
Deposit date:2002-11-01
Release date:2004-04-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Atomic resolution crystallography reveals how changes in pH shape the protein microenvironment
Nat.Chem.Biol., 2, 2006
3VN3
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BU of 3vn3 by Molmil
Fungal antifreeze protein exerts hyperactivity by constructing an inequable beta-helix
Descriptor: 1,2-ETHANEDIOL, Antifreeze protein
Authors:Kondo, H, Xiao, N, Hanada, Y, Sugimoto, H, Hoshino, T, Garnham, C.P, Davies, P.L, Tsuda, S.
Deposit date:2011-12-21
Release date:2012-06-06
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Ice-binding site of snow mold fungus antifreeze protein deviates from structural regularity and high conservation
Proc.Natl.Acad.Sci.USA, 109, 2012
7LTB
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BU of 7ltb by Molmil
Crystal Structure of Keratinicyclin B
Descriptor: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose-(1-2)-beta-D-glucopyranose, FORMIC ACID, ...
Authors:Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
Deposit date:2021-02-19
Release date:2022-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural and Functional Analysis of Keratinicyclin Reveals Synergistic Antibiosis with Vancomycin against Clostridium difficile
to be published
7LKC
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BU of 7lkc by Molmil
Crystal Structure of Keratinimicin A
Descriptor: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, CHLORIDE ION, FORMIC ACID, ...
Authors:Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
Deposit date:2021-02-02
Release date:2022-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural and Functional Analysis of Keratinicyclin Reveals Synergistic Antibiosis with Vancomycin against Clostridium difficile
to be published
8SY4
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BU of 8sy4 by Molmil
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
Descriptor: 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, LEU-AIB-ALA-SER-LEU-ALA-SNC-AIB-LEU, NICOTINIC ACID
Authors:Hess, S.S, Nguyen, A.I.
Deposit date:2023-05-24
Release date:2023-11-15
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks.
J.Am.Chem.Soc., 145, 2023
6J64
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BU of 6j64 by Molmil
Crystal structure of human HINT1 mutant complexing with AP4A
Descriptor: 2-AMINOETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-14
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6Y5S
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BU of 6y5s by Molmil
Crystal structure of savinase at cryogenic conditions
Descriptor: CALCIUM ION, SODIUM ION, Subtilisin Savinase
Authors:Wu, S, Moroz, O, Turkenburg, J, Nielsen, J.E, Wilson, K.S, Teilum, K.
Deposit date:2020-02-25
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Conformational heterogeneity of Savinase from NMR, HDX-MS and X-ray diffraction analysis.
Peerj, 8, 2020
6J93
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BU of 6j93 by Molmil
Crystal structure of Peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.95 A resolution
Descriptor: 1,2-ETHANEDIOL, Peptidyl-tRNA hydrolase
Authors:Viswanathan, V, Sharma, P, Singh, P.K, Iqbal, N, Sharma, S, Singh, T.P.
Deposit date:2019-01-21
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Crystal structure of Peptidyl-tRNA hydrolase form apo at 0.95 A resolution.
To Be Published
4WKA
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BU of 4wka by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 A resolution
Descriptor: Chitotriosidase-1, L(+)-TARTARIC ACID
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-02
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015

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