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7AHA
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BU of 7aha by Molmil
Structure of SARS-CoV-2 Main Protease bound to Maleate.
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Boger, J, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-09-24
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AGA
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BU of 7aga by Molmil
Structure of SARS-CoV-2 Main Protease bound to AT7519
Descriptor: 3C-like proteinase, 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Boger, J, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-09-22
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6O9M
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BU of 6o9m by Molmil
Structure of the human apo TFIIH
Descriptor: CDK-activating kinase assembly factor MAT1, General transcription factor IIH subunit 1, General transcription factor IIH subunit 2, ...
Authors:Yan, C.L, Dodd, T, He, Y, Tainer, J.A, Tsutakawa, S.E, Ivanov, I.
Deposit date:2019-03-14
Release date:2019-05-29
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Transcription preinitiation complex structure and dynamics provide insight into genetic diseases.
Nat.Struct.Mol.Biol., 26, 2019
4S0W
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BU of 4s0w by Molmil
Wild type T4 lysozyme structure
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Snell, E.H, Snell, M.E.
Deposit date:2015-01-07
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:Wild type T4 lysozyme structure
To be Published
7AST
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BU of 7ast by Molmil
Apo Human RNA Polymerase III
Descriptor: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
Authors:Ramsay, E.P, Abascal-Palacios, G, Daiss, J.L, King, H, Gouge, J, Pilsl, M, Beuron, F, Morris, E, Gunkel, P, Engel, C, Vannini, A.
Deposit date:2020-10-28
Release date:2020-12-23
Last modified:2020-12-30
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of human RNA polymerase III.
Nat Commun, 11, 2020
7ANS
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BU of 7ans by Molmil
Structure of SARS-CoV-2 Main Protease bound to Adrafinil.
Descriptor: 2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Ewert, W, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-10-12
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6QX3
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BU of 6qx3 by Molmil
Influenza A virus (A/NT/60/1968) polymerase Hetermotrimer in complex with 3'5' cRNA promoter and Nb8205
Descriptor: Nb8205, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2019-03-07
Release date:2019-09-04
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
6S6H
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BU of 6s6h by Molmil
Crystal structure of the DNA binding domain of the chromosome-partitioning protein ParB complexed to the centromeric parS site
Descriptor: Chromosome-partitioning protein ParB, DNA (5'-D(*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*C)-3'), GLYCEROL
Authors:Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Tan, E.X, Lawson, D.M, Le, T.B.K.
Deposit date:2019-07-03
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family.
Cell Rep, 32, 2020
7AVD
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BU of 7avd by Molmil
Structure of SARS-CoV-2 Main Protease bound to SEN1269 ligand
Descriptor: 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol, 3C-like proteinase, CHLORIDE ION
Authors:Koua, F, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Ewert, W, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-11-05
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6OH1
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BU of 6oh1 by Molmil
IgA1 Protease G5 domain structure
Descriptor: Immunoglobulin A1 protease
Authors:Eisenmesser, E.Z, Chi, Y.C, Paukovich, N, Redzic, J.S, Rahkola, J.T, Janoff, E.N.
Deposit date:2019-04-04
Release date:2020-02-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Streptococcus pneumoniae G5 domains bind different ligands.
Protein Sci., 28, 2019
7UGB
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BU of 7ugb by Molmil
Crystal structure of rat ERK2 complexed with docking peptide from ISG20
Descriptor: Interferon-stimulated gene 20 kDa protein, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Torres Robles, J, Stiegler, A.L, Boggon, T.J, Turk, B.E.
Deposit date:2022-03-24
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:To be determined
To Be Published
7AOL
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BU of 7aol by Molmil
Structure of SARS-CoV-2 Main Protease bound to Climbazole
Descriptor: (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-10-14
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
1H5U
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BU of 1h5u by Molmil
THE 1.76 A RESOLUTION CRYSTAL STRUCTURE OF GLYCOGEN PHOSPHORYLASE B COMPLEXED WITH GLUCOSE AND CP320626, A POTENTIAL ANTIDIABETIC DRUG
Descriptor: 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Archontis, G.
Deposit date:2001-05-25
Release date:2001-06-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The 1.76 A Resolution Crystal Structure of Glycogen Phosphorylase B Complexed with Glucose, and Cp320626, a Potential Antidiabetic Drug
Bioorg.Med.Chem., 10, 2002
4A04
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BU of 4a04 by Molmil
Structure of the DNA-bound T-box domain of human TBX1, a transcription factor associated with the DiGeorge syndrome
Descriptor: DNA, T-BOX TRANSCRIPTION FACTOR TBX1
Authors:El Omari, K, De Mesmaeker, J, Karia, D, Ginn, H, Bhattacharya, S, Mancini, E.J.
Deposit date:2011-09-07
Release date:2011-10-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure of the DNA-Bound T-Box Domain of Human Tbx1, a Transcription Factor Associated with the Digeorge Syndrome
Proteins, 80, 2012
6R60
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BU of 6r60 by Molmil
asymmetric antiparallel assembly of two 5-bladed beta-propeller fragments
Descriptor: WD-40 repeat protein
Authors:Afanasieva, E, Lupas, A.N, Hartmann, M.D.
Deposit date:2019-03-26
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural diversity of oligomeric beta-propellers with different numbers of identical blades.
Elife, 8, 2019
1GUE
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BU of 1gue by Molmil
SENSORY RHODOPSIN II
Descriptor: CHLORIDE ION, RETINAL, SENSORY RHODOPSIN II
Authors:Edman, K, Royant, A, Nollert, P, Maxwell, C.A, Pebay-Peyroula, E, Navarro, J, Neutze, R, Landau, E.M.
Deposit date:2002-01-24
Release date:2002-04-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Early Structural Rearrangements in the Photocycle of an Integral Membrane Sensory Receptor
Structure, 10, 2002
8U1T
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BU of 8u1t by Molmil
SARS-CoV-2 Envelope Protein Transmembrane Domain: Dimeric Structure Determined by Solid-State NMR
Descriptor: Envelope small membrane protein
Authors:Zhang, R, Qin, H, Prasad, R, Fu, R, Zhou, H.X, Cross, T.
Deposit date:2023-09-02
Release date:2023-11-15
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Dimeric Transmembrane Structure of the SARS-CoV-2 E Protein.
Commun Biol, 6, 2023
5VMX
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BU of 5vmx by Molmil
Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a hemi CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*CP*GP*CP*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2017-04-28
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018
8U1K
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BU of 8u1k by Molmil
Cryo-EM of Caulobacter crescentus Tad pilus
Descriptor: PilA
Authors:Sonani, R.R, Sanchez, J.C, Baumgardt, J.K, Wright, E.R, Egelman, E.H.
Deposit date:2023-09-01
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Tad and toxin-coregulated pilus structures reveal unexpected diversity in bacterial type IV pili.
Proc.Natl.Acad.Sci.USA, 120, 2023
6RR7
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BU of 6rr7 by Molmil
Influenza A virus (A/NT/60/1968) polymerase Heterotrimer bound to 3'5' vRNA promoter and capped RNA primer
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(M7G))-R(P*AP*AP*UP*CP*U)-3'), ...
Authors:Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2019-05-17
Release date:2019-09-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
6XKY
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BU of 6xky by Molmil
Caulobacter crescentus FljK filament, straightened
Descriptor: Flagellin
Authors:Montemayor, E.J, Ploscariu, N.T, Sanchez, J.C, Parrell, D, Dillard, R.S, Shebelut, C.W, Ke, Z, Guerrero-Ferreira, R.C, Wright, E.R.
Deposit date:2020-06-27
Release date:2020-12-23
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Flagellar Structures from the Bacterium Caulobacter crescentus and Implications for Phage phi CbK Predation of Multiflagellin Bacteria
J.Bacteriol., 203, 2021
1HB1
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BU of 1hb1 by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC ACOV FE COMPLEX)
Descriptor: FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE, ...
Authors:Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E.
Deposit date:2001-04-11
Release date:2001-11-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
5NW9
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BU of 5nw9 by Molmil
Crystal structure of the complex of Tdp1 with duplex DNA
Descriptor: DNA (5'-D(P*TP*GP*CP*GP*CP*AP*GP*TP*A)-3'), Tyrosyl-DNA phosphodiesterase 1
Authors:Richardson, J.M, Ruksenaite, E, Morris, E.R.
Deposit date:2017-05-05
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural basis for DNA 3'-end processing by human tyrosyl-DNA phosphodiesterase 1.
Nat Commun, 9, 2018
6S2Z
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BU of 6s2z by Molmil
Water-soluble Chlorophyll Protein (WSCP) from Brassica oleracea var. Botrytis with Chlorophyll-b
Descriptor: CHLOROPHYLL B, Water-Soluble Chlorophyll Protein
Authors:Agostini, A, Meneghin, E, Gewehr, L, Pedron, D, Palm, D.M, Carbonera, D, Paulsen, H, Jaenicke, E, Collini, E.
Deposit date:2019-06-23
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein.
Sci Rep, 9, 2019
5NVU
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BU of 5nvu by Molmil
Full length human cytoplasmic dynein-1 in the phi-particle conformation
Descriptor: Dynein intermediate chain, Dynein light intermediate chain, Dynein motor domain, ...
Authors:Zhang, K, Foster, H.E, Carter, A.P.
Deposit date:2017-05-04
Release date:2017-08-09
Last modified:2017-09-06
Method:ELECTRON MICROSCOPY (15 Å)
Cite:Cryo-EM Reveals How Human Cytoplasmic Dynein Is Auto-inhibited and Activated.
Cell, 169, 2017

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數據於2024-07-17公開中

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