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6BK9
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BU of 6bk9 by Molmil
Crystal Structure of Squid Arrestin
Descriptor: CHLORIDE ION, Visual arrestin
Authors:Eger, B.T, Bandyopadhyay, A, Yedidi, R.S, Ernst, O.P.
Deposit date:2017-11-08
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.00005579 Å)
Cite:A Novel Polar Core and Weakly Fixed C-Tail in Squid Arrestin Provide New Insight into Interaction with Rhodopsin.
J. Mol. Biol., 430, 2018
2VPJ
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BU of 2vpj by Molmil
Crystal structure of the Kelch domain of human KLHL12
Descriptor: ACETATE ION, KELCH-LIKE PROTEIN 12
Authors:Keates, T, Pike, A.C.W, Bullock, A.N, Salah, E, Filippakopoulos, P, Roos, A.K, von Delft, F, Savitsky, P, Weigelt, J, Edwards, A, Arrowsmith, C.H, Bountra, C, Knapp, S.
Deposit date:2008-02-29
Release date:2008-03-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
6KNF
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BU of 6knf by Molmil
CryoEM map and model of Nitrite Reductase at pH 6.2
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase
Authors:Adachi, N, Yamaguchi, T, Moriya, T, Kawasaki, M, Koiwai, K, Shinoda, A, Yamada, Y, Yumoto, F, Kohzuma, T, Senda, T.
Deposit date:2019-08-05
Release date:2020-08-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:2.85 and 2.99 angstrom resolution structures of 110 kDa nitrite reductase determined by 200 kV cryogenic electron microscopy.
J.Struct.Biol., 213, 2021
4WUT
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BU of 4wut by Molmil
CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS (Avi_5133, TARGET EFI-511220) WITH BOUND D-FUCOSE
Descriptor: ABC transporter substrate binding protein (Ribose), CALCIUM ION, CHLORIDE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-11-03
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS (Avi_5133, TARGET EFI-511220) WITH BOUND D-FUCOSE
To be published
6JWU
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BU of 6jwu by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS wild type with STZ-DHP
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
Deposit date:2019-04-21
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
2VO5
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BU of 2vo5 by Molmil
Structural and biochemical evidence for a boat-like transition state in beta-mannosidases
Descriptor: (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ...
Authors:Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J.
Deposit date:2008-02-08
Release date:2008-04-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
1CFF
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BU of 1cff by Molmil
NMR SOLUTION STRUCTURE OF A COMPLEX OF CALMODULIN WITH A BINDING PEPTIDE OF THE CA2+-PUMP
Descriptor: CALCIUM ION, CALCIUM PUMP, CALMODULIN
Authors:Elshorst, B, Hennig, M, Foersterling, H, Diener, A, Maurer, M, Schulte, P, Schwalbe, H, Krebs, J, Schmid, H, Vorherr, T, Carafoli, E, Griesinger, C.
Deposit date:1999-03-18
Release date:1999-09-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR solution structure of a complex of calmodulin with a binding peptide of the Ca2+ pump.
Biochemistry, 38, 1999
6K1R
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BU of 6k1r by Molmil
Crystal structure of Ketopantoate reductase from Pseudomonas aeruginosa in complex with NAD+ and ketopantoate
Descriptor: GLYCEROL, KETOPANTOATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Khanppnavar, B, Choudhury, A, Datta, S.
Deposit date:2019-05-12
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystallographic and biophysical analyses of Pseudomonas aeruginosa ketopantoate reductase: Implications of ligand induced conformational changes in cofactor recognition.
Biochimie, 2021
6KLW
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BU of 6klw by Molmil
Complex structure of Iota toxin enzymatic component (Ia) and binding component (Ib) pore with long stem
Descriptor: CALCIUM ION, Iota toxin component Ia, Iota toxin component Ib
Authors:Yoshida, T, Yamada, T, Kawamoto, A, Mitsuoka, K, Iwasaki, K, Tsuge, H.
Deposit date:2019-07-30
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures reveal translocational unfolding in the clostridial binary iota toxin complex.
Nat.Struct.Mol.Biol., 27, 2020
4X8U
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BU of 4x8u by Molmil
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID
Descriptor: 5-chloro-1H-indole-2-carboxylic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
4X45
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BU of 4x45 by Molmil
Crystal Structure of F173G Mutant of Human APRT
Descriptor: ADENOSINE MONOPHOSPHATE, Adenine phosphoribosyltransferase
Authors:Pereira, H.M, Pimenta, A, Mercaldi, G, Thiemann, O.H.
Deposit date:2014-12-02
Release date:2015-12-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of F173G Mutant of Human APRT
To Be Published
5MFE
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BU of 5mfe by Molmil
Designed armadillo repeat protein YIIIM5AII in complex with (RR)4 peptide
Descriptor: (RR)4, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A.
Deposit date:2016-11-18
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Curvature of designed armadillo repeat proteins allows modular peptide binding.
J. Struct. Biol., 201, 2018
5MFM
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BU of 5mfm by Molmil
Designed armadillo repeat protein peptide fusion YIIIM6AII_GS11_(KR)5
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Importin subunit alpha, ...
Authors:Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A.
Deposit date:2016-11-18
Release date:2017-09-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Curvature of designed armadillo repeat proteins allows modular peptide binding.
J. Struct. Biol., 201, 2018
6KJO
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BU of 6kjo by Molmil
The microtubule-binding domains of yeast cytoplasmic dynein in the low affinity state
Descriptor: Dynein heavy chain, cytoplasmic
Authors:Nishida, N, Komori, Y, Takarada, O, Watanabe, A, Tamura, S, Kubo, S, Shimada, I, Kikkawa, M.
Deposit date:2019-07-22
Release date:2020-03-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for two-way communication between dynein and microtubules.
Nat Commun, 11, 2020
6KAV
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BU of 6kav by Molmil
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Light
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
Deposit date:2019-06-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KB9
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BU of 6kb9 by Molmil
X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by cross-seeding
Descriptor: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2019-06-24
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
3N5F
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BU of 3n5f by Molmil
Crystal Structure of L-N-carbamoylase from Geobacillus stearothermophilus CECT43
Descriptor: CACODYLATE ION, COBALT (II) ION, ISOPROPYL ALCOHOL, ...
Authors:Garcia-Pino, A, Martinez-Rodriguez, S, Gavira, J.A.
Deposit date:2010-05-25
Release date:2011-05-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mutational and structural analysis of L-N-carbamoylase reveals new insights into a peptidase m20/m25/m40 family member.
J.Bacteriol., 194, 2012
6D3Q
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BU of 6d3q by Molmil
Crystal structure of Escherichia coli enolase complexed with a natural inhibitor SF2312.
Descriptor: Enolase, GLYCEROL, MAGNESIUM ION, ...
Authors:Erlandsen, H, Krucinska, J, Hazeen, A, Wright, D.
Deposit date:2018-04-16
Release date:2019-11-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
6CZU
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BU of 6czu by Molmil
BRD4(BD1) complexed with 3219
Descriptor: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one, Bromodomain-containing protein 4, ...
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2018-04-09
Release date:2018-09-26
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61, 2018
4YR2
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BU of 4yr2 by Molmil
Mutant Human DNA Polymerase Eta R61M Inserting dATP Opposite an 8-Oxoguanine Lesion
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Su, Y, Patra, A, Harp, J.M, Egli, M, Guengerich, F.P.
Deposit date:2015-03-14
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Roles of Residues Arg-61 and Gln-38 of Human DNA Polymerase eta in Bypass of Deoxyguanosine and 7,8-Dihydro-8-oxo-2'-deoxyguanosine.
J.Biol.Chem., 290, 2015
6KBO
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BU of 6kbo by Molmil
Three-dimensional LPS bound structure of VG16KRKP-KYE28.
Descriptor: Heparin cofactor 2, VG16KRKP
Authors:Ilyas, H, Bhunia, A.
Deposit date:2019-06-26
Release date:2019-08-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insights into the combinatorial effects of antimicrobial peptides reveal a role of aromatic-aromatic interactions in antibacterial synergism.
J.Biol.Chem., 294, 2019
6KH9
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BU of 6kh9 by Molmil
Solution structure of bovine insulin amyloid intermediate-1
Descriptor: Insulin A chain, Insulin B chain
Authors:Ratha, B.N, Kar, R.K, Brender, J.B, Bhunia, A.
Deposit date:2019-07-14
Release date:2020-08-12
Last modified:2020-11-18
Method:SOLUTION NMR
Cite:High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
6KH8
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BU of 6kh8 by Molmil
Solution structure of Zn free Bovine Pancreatic Insulin in 20% acetic acid-d4 (pH 1.9)
Descriptor: Insulin A Chain, Insulin B chain
Authors:Bhunia, A, Ratha, B.N, Kar, R.K, Brender, J.R.
Deposit date:2019-07-14
Release date:2020-10-07
Last modified:2020-11-18
Method:SOLUTION NMR
Cite:High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
4YGL
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BU of 4ygl by Molmil
NaClO4--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: Carbonic anhydrase 2, HYDROXIDE ION, PERCHLORATE ION, ...
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
4YTT
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BU of 4ytt by Molmil
Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 6-deoxy L-psicose
Descriptor: 6-deoxy-L-psicose, 6-deoxy-alpha-L-psicofuranose, D-tagatose 3-epimerase, ...
Authors:Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S.
Deposit date:2015-03-18
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Appl. Microbiol. Biotechnol., 100, 2016

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