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1DYU
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BU of 1dyu by Molmil
The active site base controls cofactor reactivity in Escherichia coli amine oxidase: X-ray crystallographic studies with mutational variants.
Descriptor: CALCIUM ION, COPPER (II) ION, COPPER AMINE OXIDASE
Authors:Murray, J.M, Wilmot, C.M, Saysell, C.G, Jaeger, J, Knowles, P.F, Phillips, S.E.V, McPherson, M.J.
Deposit date:2000-02-08
Release date:2000-02-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographicstudies with Mutational Variants
Biochemistry, 38, 1999
5D5A
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BU of 5d5a by Molmil
In meso in situ serial X-ray crystallography structure of the Beta2-adrenergic receptor at 100 K
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ...
Authors:Huang, C.-Y, Olieric, V, Warshamanage, R, Liu, X, Kobilka, B, Kay Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4826 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
1E3I
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BU of 1e3i by Molmil
Mouse class II alcohol dehydrogenase complex with NADH and inhibitor
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ALCOHOL DEHYDROGENASE, CLASS II, ...
Authors:Svensson, S, Hoog, J.O, Schneider, G, Sandalova, T.
Deposit date:2000-06-16
Release date:2000-09-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal Structure of Mouse Class II Alcohol Dehydrogenase Reveal Determinants of Substrate Specificity and Catalytic Efficiency
J.Mol.Biol., 302, 2000
1E3E
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BU of 1e3e by Molmil
Mouse class II alcohol dehydrogenase complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ALCOHOL DEHYDROGENASE, CLASS II, ...
Authors:Svensson, S, Hoeoeg, J.O, Schneider, G, Sandalova, T.
Deposit date:2000-06-14
Release date:2000-09-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal Structure of Mouse Class II Alcohol Dehydrogenase Reveal Determinants of Substrate Specificity and Catalytic Efficiency
J.Mol.Biol., 302, 2000
5D9Q
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BU of 5d9q by Molmil
Crystal Structure of the BG505 SOSIP gp140 HIV-1 Env trimer in Complex with the Broadly Neutralizing Fab PGT122 and scFv NIH45-46
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Julien, J.-P, Stanfield, R.L, Ward, A.B, Wilson, I.A.
Deposit date:2015-08-18
Release date:2016-08-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Minimally Mutated HIV-1 Broadly Neutralizing Antibodies to Guide Reductionist Vaccine Design.
Plos Pathog., 12, 2016
8JZC
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BU of 8jzc by Molmil
Crystal structure of Geobacillus stearothermophilus NarJ
Descriptor: Nitrate reductase molybdenum cofactor assembly chaperone
Authors:Song, W.S, Kim, J.H, Namgung, B, Cho, H.Y, Oh, H.B, Yoon, S.I.
Deposit date:2023-07-05
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Complementary hydrophobic interaction of the redox enzyme maturation protein NarJ with the signal peptide of the respiratory nitrate reductase NarG.
Int.J.Biol.Macromol., 262, 2024
1E4N
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BU of 1e4n by Molmil
Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase ZMGluE191D in complex with the natural aglycone DIMBOA
Descriptor: 2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE, BETA-GLUCOSIDASE
Authors:Czjzek, M, Cicek, M, Bevan, D.R, Zamboni, V, Henrissat, B, Esen, A.
Deposit date:2000-07-11
Release date:2000-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Mechanism of Substrate (Aglycone) Specificity in Beta -Glucosidases is Revealed by Crystal Structures of Mutant Maize Beta -Glucosidase-Dimboa, -Dimboaglc, and -Dhurrin Complexes
Proc.Natl.Acad.Sci.USA, 97, 2000
6V3G
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BU of 6v3g by Molmil
Cryo-EM structure of Ca2+-free hsSlo1 channel
Descriptor: Calcium-activated potassium channel subunit alpha-1
Authors:Tao, X, MacKinnon, R.
Deposit date:2019-11-25
Release date:2019-12-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Molecular structures of the human Slo1 K + channel in complex with beta 4.
Elife, 8, 2019
1E4L
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BU of 1e4l by Molmil
Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase ZM Glu191Asp
Descriptor: BETA-GLUCOSIDASE, CHLOROPLASTIC, GLYCEROL
Authors:Czjzek, M, Cicek, M, Bevan, D.R, Henrissat, B, Esen, A.
Deposit date:2000-07-10
Release date:2000-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Mechanism of Substrate (Aglycone) Specificity in Beta -Glucosidases is Revealed by Crystal Structures of Mutant Maize Beta -Glucosidase-Dimboa, -Dimboaglc, and -Dhurrin Complexes
Proc.Natl.Acad.Sci.USA, 97, 2000
6V4B
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BU of 6v4b by Molmil
DeCLIC N-terminal Domain 34-202
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Neur_chan_LBD domain-containing protein, ...
Authors:Delarue, M, Hu, H.D.
Deposit date:2019-11-27
Release date:2020-06-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for allosteric transitions of a multidomain pentameric ligand-gated ion channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
6MKF
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BU of 6mkf by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the imipenem-bound form
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6MJL
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BU of 6mjl by Molmil
Crystal structure of ChREBP NLS peptide bound to importin alpha.
Descriptor: ChREBP Peptide ASN-TYR-TRP-LYS-ARG-ARG-ILE-GLU-VAL, Importin subunit alpha-1
Authors:Jung, H, Uyeda, K.
Deposit date:2018-09-21
Release date:2019-09-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of importin alpha and the nuclear localization peptide of ChREBP, and small compound inhibitors of ChREBP-importin alpha interactions.
Biochem.J., 477, 2020
6R5V
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BU of 6r5v by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with xylotriose
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6T8B
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BU of 6t8b by Molmil
FtsK motor domain with dsDNA, translocating state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA translocase FtsK, MAGNESIUM ION, ...
Authors:Jean, N.L, Lowe, J.
Deposit date:2019-10-24
Release date:2019-11-20
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:FtsK in motion reveals its mechanism for double-stranded DNA translocation.
Proc.Natl.Acad.Sci.USA, 117, 2020
8JZD
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BU of 8jzd by Molmil
Crystal structure of Escherichia coli NarJ in complex with the signal peptide of E. coli NarG
Descriptor: Nitrate reductase molybdenum cofactor assembly chaperone NarJ, Respiratory nitrate reductase 1 alpha chain
Authors:Song, W.S, Kim, J.H, Namgung, B, Cho, H.Y, Oh, H.B, Yoon, S.I.
Deposit date:2023-07-05
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Complementary hydrophobic interaction of the redox enzyme maturation protein NarJ with the signal peptide of the respiratory nitrate reductase NarG.
Int.J.Biol.Macromol., 262, 2024
6R5P
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BU of 6r5p by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with glucose
Descriptor: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6MKH
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BU of 6mkh by Molmil
Crystal structure of pencillin binding protein 4 (PBP4) from Enterococcus faecalis in the imipenem-bound form
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, PHOSPHATE ION, pencillin binding protein 4 (PBP4)
Authors:D'Andrea, E.D, Moon, T.M, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
8B5W
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BU of 8b5w by Molmil
Crystal structure of the E3 module from UBR4
Descriptor: 1,2-ETHANEDIOL, ZINC ION, cDNA FLJ12511 fis, ...
Authors:Virdee, S, Mabbitt, P.D, Barnsby-Greer, L.
Deposit date:2022-09-24
Release date:2023-10-04
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:UBE2A and UBE2B are recruited by an atypical E3 ligase module in UBR4.
Nat.Struct.Mol.Biol., 31, 2024
6R8G
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BU of 6r8g by Molmil
Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with 4-(3,4-difluorophenyl)thiazol-2-amine
Descriptor: 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M.
Deposit date:2019-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Fragment-Based Approach Identifies an Allosteric Pocket that Impacts Malate Dehydrogenase Activity
Commun Biol, 2021
4GL7
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BU of 4gl7 by Molmil
Structure of human placental aromatase complexed with designed inhibitor HDDG046 (compound 5)
Descriptor: (6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ghosh, D.
Deposit date:2012-08-13
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
5AKF
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BU of 5akf by Molmil
THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA NICKED IN THE CODING STRAND A AND IN THE PRESENCE OF 2MM MN
Descriptor: 25MER, 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP)-3', ...
Authors:Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J.
Deposit date:2015-03-03
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
6TA5
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BU of 6ta5 by Molmil
OprM-MexA complex from the MexAB-OprM Pseudomonas aeruginosa whole assembly reconstituted in nanodiscs
Descriptor: Efflux pump membrane transporter, MexA family multidrug efflux RND transporter periplasmic adaptor subunit, Outer membrane protein OprM
Authors:Glavier, M, Schoehn, G, Taveau, J.C, Phan, G, Daury, L, Lambert, O, Broutin, I.
Deposit date:2019-10-29
Release date:2020-09-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Antibiotic export by MexB multidrug efflux transporter is allosterically controlled by a MexA-OprM chaperone-like complex.
Nat Commun, 11, 2020
8K6C
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BU of 8k6c by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
1DSS
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BU of 1dss by Molmil
STRUCTURE OF ACTIVE-SITE CARBOXYMETHYLATED D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM PALINURUS VERSICOLOR
Descriptor: D-GLYCERALDEHYDE-3-PHOSPHATE-DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Song, S, Lin, Z.
Deposit date:1997-06-04
Release date:1998-12-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure of active site carboxymethylated D-glyceraldehyde-3-phosphate dehydrogenase from Palinurus versicolor.
J.Mol.Biol., 287, 1999
1DYS
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BU of 1dys by Molmil
Endoglucanase CEL6B from Humicola insolens
Descriptor: ENDOGLUCANASE
Authors:Davies, G.J, Brzozowski, A.M, Dauter, M, Varrot, A, Schulein, M.
Deposit date:2000-02-08
Release date:2001-02-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and Function of Humicola Insolens Family 6 Cellulases: Structure of the Endoglucanase, Cel6B, at 1.6 A Resolution
Biochem.J., 348, 2000

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