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8A1V
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BU of 8a1v by Molmil
Sodium pumping NADH-quinone oxidoreductase with substrate Q2
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
8A1W
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BU of 8a1w by Molmil
Sodium pumping NADH-quinone oxidoreductase with substrate Q1
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
8A1X
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BU of 8a1x by Molmil
Sodium pumping NADH-quinone oxidoreductase with inhibitor DQA
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
8A1T
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BU of 8a1t by Molmil
Sodium pumping NADH-quinone oxidoreductase
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
8A1Y
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BU of 8a1y by Molmil
Sodium pumping NADH-quinone oxidoreductase with inhibitor HQNO
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
6R7B
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BU of 6r7b by Molmil
Crystal structure of Csx1 in complex with cyclic oligoadenylate cOA4 conformation 1
Descriptor: CRISPR-associated (Cas) DxTHG family, RNA (5'-R(P*AP*AP*AP*A)-3')
Authors:Molina, R, Montoya, G, Sofos, N, Stella, S.
Deposit date:2019-03-28
Release date:2019-10-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structure of Csx1-cOA4complex reveals the basis of RNA decay in Type III-B CRISPR-Cas.
Nat Commun, 10, 2019
6RA6
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BU of 6ra6 by Molmil
Ferric murine neuroglobin Gly-loop44-47/F106A mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Vallone, B.
Deposit date:2019-04-05
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lack of orientation selectivity of the heme insertion in murine neuroglobin revealed by resonance Raman spectroscopy.
Febs J., 287, 2020
8A1U
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BU of 8a1u by Molmil
Sodium pumping NADH-quinone oxidoreductase with substrates NADH and Q2
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J.
Deposit date:2022-06-02
Release date:2023-09-20
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
1D1V
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BU of 1d1v by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH S-ETHYL-N-PHENYL-ISOTHIOUREA (H4B BOUND)
Descriptor: 2-ETHYL-1-PHENYL-ISOTHIOUREA, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L.
Deposit date:1999-09-21
Release date:2001-07-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
8T6N
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BU of 8t6n by Molmil
Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-27.1 : A, T33-27.1 : B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-16
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8D44
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BU of 8d44 by Molmil
Cryo-electron microscopy structure of human kidney Fructose-bisphosphate aldolase B
Descriptor: Fructose-bisphosphate aldolase B
Authors:Lyu, M, Yu, E.W.
Deposit date:2022-06-01
Release date:2022-11-16
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-electron microscopy structure of human kidney Fructose-bisphosphate aldolase B
To Be Published
6KXR
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BU of 6kxr by Molmil
Crystal structure of wild type Alp1U from the biosynthesis of kinamycins
Descriptor: D-MALATE, Putative hydrolase
Authors:Zhang, L, Yingli, Z, De, B.C, Zhang, C.
Deposit date:2019-09-12
Release date:2020-09-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45073676 Å)
Cite:Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
1D62
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BU of 1d62 by Molmil
THE STRUCTURE OF A /B-DNA$ DECAMER WITH AN I(SLASH)*A MISMATCH AND COMPARISON WITH THE G(SLASH)*A MISMATCH
Descriptor: 5'-D(*CP*CP*AP*AP*IP*AP*TP*TP*GP*G)-3'
Authors:Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Dickerson, R.E.
Deposit date:1992-03-01
Release date:1993-07-15
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA.
Biochemistry, 32, 1993
7Q7Q
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BU of 7q7q by Molmil
LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
Authors:Baath, P, Banacore, A, Neutze, R.
Deposit date:2021-11-09
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre.
Acta Crystallogr D Struct Biol, 78, 2022
7Q7P
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BU of 7q7p by Molmil
LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
Authors:Baath, P, Banacore, A, Neutze, R.
Deposit date:2021-11-09
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre.
Acta Crystallogr D Struct Biol, 78, 2022
1LLA
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BU of 1lla by Molmil
CRYSTAL STRUCTURE OF DEOXYGENATED LIMULUS POLYPHEMUS SUBUNIT II HEMOCYANIN AT 2.18 ANGSTROMS RESOLUTION: CLUES FOR A MECHANISM FOR ALLOSTERIC REGULATION
Descriptor: CHLORIDE ION, COPPER (II) ION, HEMOCYANIN (SUBUNIT TYPE II), ...
Authors:Hazes, B, Hol, W.G.J.
Deposit date:1992-09-07
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of deoxygenated Limulus polyphemus subunit II hemocyanin at 2.18 A resolution: clues for a mechanism for allosteric regulation.
Protein Sci., 2, 1993
8PAS
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BU of 8pas by Molmil
Crystal structure of MAP4K1 with a SMOL inhibitor
Descriptor: 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Friberg, A.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
6L7Q
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BU of 6l7q by Molmil
Crystal structure of a hypothetical protein PYCH_01220 derived from Pyrococcus yayanosii
Descriptor: hypothetical protein
Authors:Jeon, J.-H, Noh, H, Oh, B.-H.
Deposit date:2019-11-02
Release date:2020-11-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Crystal structure of PYCH_01220 from Pyrococcus yayanosii potentially involved in binding nucleic acid.
Proteins, 89, 2021
5C4U
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BU of 5c4u by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
1D61
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BU of 1d61 by Molmil
THE STRUCTURE OF THE B-DNA DECAMER C-C-A-A-C-I-T-T-G-G: MONOCLINIC FORM
Descriptor: CACODYLATE ION, CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*CP*IP*TP*TP*GP*G)-3')
Authors:Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Quintana, J, Dickerson, R.E.
Deposit date:1992-02-26
Release date:1993-04-15
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA.
Biochemistry, 32, 1993
7CW0
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BU of 7cw0 by Molmil
Cryo-EM structure of Chikungunya virus in complex with mAb CHK-263 IgG
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
5FCZ
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BU of 5fcz by Molmil
Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with Thio-NAglucal (TNX)
Descriptor: 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol, B-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Vadlamani, G, Mark, B.L.
Deposit date:2015-12-15
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:N-Acetyl glycals are tight-binding and environmentally insensitive inhibitors of hexosaminidases.
Chem.Commun.(Camb.), 52, 2016
6WMK
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BU of 6wmk by Molmil
Crystal structure of beta sheet heterodimer LHD29
Descriptor: Beta sheet heterodimer LHD29 - Chain A, Beta sheet heterodimer LHD29 - Chain B
Authors:Bera, A.K, Sahtoe, D.D, Kang, A, Sankaran, B, Baker, D.
Deposit date:2020-04-21
Release date:2021-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
7CVZ
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BU of 7cvz by Molmil
Cryo-EM structure of Chikungunya virus in complex with Fab fragments of mAb CHK-263
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
7CVY
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BU of 7cvy by Molmil
Cryo-EM structure of Chikungunya virus in complex with Fab fragments of mAb CHK-124
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020

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