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6Z5R
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BU of 6z5r by Molmil
RC-LH1(16) complex from Rhodopseudomonas palustris
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, (6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol, ...
Authors:Swainsbury, D.J.K, Qian, P, Hitchcock, A, Hunter, C.N.
Deposit date:2020-05-27
Release date:2021-01-13
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of Rhodopseudomonas palustris RC-LH1 complexes with open or closed quinone channels.
Sci Adv, 7, 2021
6Z8E
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BU of 6z8e by Molmil
Human Picobirnavirus Ht-CP VLP
Descriptor: Capsid protein precursor
Authors:Ortega-Esteban, A, Mata, C.P, Rodriguez-Espinosa, M.J, Luque, D, Irigoyen, N, Rodriguez, J.M, de Pablo, P.J, Caston, J.R.
Deposit date:2020-06-02
Release date:2020-09-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-electron Microscopy Structure, Assembly, and Mechanics Show Morphogenesis and Evolution of Human Picobirnavirus.
J.Virol., 94, 2020
6Z9G
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BU of 6z9g by Molmil
Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ...
Authors:Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M.
Deposit date:2020-06-03
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
J.Biol.Inorg.Chem., 25, 2020
6Z6U
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BU of 6z6u by Molmil
1.25 A structure of human apoferritin obtained from Titan Mono-BCOR microscope
Descriptor: Ferritin heavy chain, MAGNESIUM ION, SODIUM ION
Authors:Yip, K.M, Fischer, N, Paknia, E, Chari, A, Stark, H.
Deposit date:2020-05-29
Release date:2020-06-24
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (1.25 Å)
Cite:Atomic-resolution protein structure determination by cryo-EM.
Nature, 587, 2020
6ZCT
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BU of 6zct by Molmil
Nonstructural protein 10 (nsp10) from SARS CoV-2
Descriptor: ZINC ION, nsp10
Authors:Rogstam, A, Nyblom, M, Christensen, S, Sele, C, Lindvall, T, Rasmussen, A.A, Andre, I, Fisher, S.Z, Knecht, W, Kozielski, F.
Deposit date:2020-06-12
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
Int J Mol Sci, 21, 2020
6ZD4
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BU of 6zd4 by Molmil
Crystal structure of YTHDC1 S378A mutant
Descriptor: SULFATE ION, YTH domain containing 1
Authors:Bedi, R.K, Li, Y, Caflisch, A.
Deposit date:2020-06-13
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6Z9L
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BU of 6z9l by Molmil
Enterococcal PrgA
Descriptor: Poly-alanine peptide, PrgA, SULFATE ION
Authors:Berntsson, R.P.A, Schmitt, A.
Deposit date:2020-06-04
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.063 Å)
Cite:Enterococcal PrgA Extends Far Outside the Cell and Provides Surface Exclusion to Protect against Unwanted Conjugation.
J.Mol.Biol., 432, 2020
6ZFJ
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BU of 6zfj by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 1H-isoindol-3-amine, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-06-17
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
6ZGB
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BU of 6zgb by Molmil
glutamate transporter homologue Glttk in complex with a photo cage compound
Descriptor: (2~{S},3~{S})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid, DI(HYDROXYETHYL)ETHER, Proton/glutamate symporter, ...
Authors:Arkhipova, V, Slotboom, D.J, Guskov, A.
Deposit date:2020-06-18
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
J.Am.Chem.Soc., 143, 2021
6ZCO
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BU of 6zco by Molmil
Crystal Structure of C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein from SARS-CoV-2, crystal form II
Descriptor: Nucleoprotein
Authors:Zinzula, L, Basquin, J, Nagy, I, Bracher, A.
Deposit date:2020-06-11
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.361 Å)
Cite:High-resolution structure and biophysical characterization of the nucleocapsid phosphoprotein dimerization domain from the Covid-19 severe acute respiratory syndrome coronavirus 2.
Biochem.Biophys.Res.Commun., 538, 2021
6ZCV
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BU of 6zcv by Molmil
Crystal structure of lanthanide-dependent alcohol dehydrogenase PedH from Pseudomonas putida KT2440
Descriptor: CALCIUM ION, GLYCEROL, PRASEODYMIUM ION, ...
Authors:Bange, G, Lepak, A, Elsayed, E.M.
Deposit date:2020-06-12
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineered PQQ-Dependent Alcohol Dehydrogenase for the Oxidation of 5-(Hydroxymethyl)furoic Acid
Acs Catalysis, 2020
6ZJ9
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BU of 6zj9 by Molmil
Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione
Descriptor: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase
Authors:Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P.
Deposit date:2020-06-28
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants.
Environ Pollut, 268, 2021
6ZL6
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BU of 6zl6 by Molmil
Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP and NAD
Descriptor: Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE
Authors:Iacovino, L.G, Mattevi, A.
Deposit date:2020-06-30
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction.
J.Biol.Chem., 295, 2020
6Z9E
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BU of 6z9e by Molmil
1.55 A structure of human apoferritin obtained from data subset of Titan Mono-BCOR microscope
Descriptor: Ferritin heavy chain, SODIUM ION
Authors:Yip, K.M, Fischer, N, Paknia, E, Chari, A, Stark, H.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (1.55 Å)
Cite:Atomic-resolution protein structure determination by cryo-EM.
Nature, 587, 2020
6ZCM
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BU of 6zcm by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_180
Descriptor: 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-06-11
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6ZD3
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BU of 6zd3 by Molmil
Crystal structure of YTHDC1 M438A mutant
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain containing 1
Authors:Bedi, R.K, Li, Y, Caflisch, A.
Deposit date:2020-06-13
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6Z4U
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BU of 6z4u by Molmil
X-ray Crystallographic Structure of Orf9b from SARS-CoV-2
Descriptor: POLYETHYLENE GLYCOL (N=34), Protein 9b
Authors:Weeks, S.D, De Graef, S, Munawar, A.
Deposit date:2020-05-25
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray Crystallographic Structure of Orf9b from SARS-CoV-2
To Be Published
6ZA1
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BU of 6za1 by Molmil
Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2-hd
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, GLYCEROL, ...
Authors:Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M.
Deposit date:2020-06-04
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
J.Biol.Inorg.Chem., 25, 2020
6ZCW
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BU of 6zcw by Molmil
Crystal structure of lanthanide-dependent alcohol dehydrogenase PedH from Pseudomonas putida KT2440
Descriptor: PRASEODYMIUM ION, PYRROLOQUINOLINE QUINONE, Quinoprotein ethanol dehydrogenase
Authors:Bange, G, Lepak, A, Elsayed, E.M.
Deposit date:2020-06-12
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Engineered PQQ-Dependent Alcohol Dehydrogenase for the Oxidation of 5-(Hydroxymethyl)furoic Acid
Acs Catalysis, 10, 2020
6Z44
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BU of 6z44 by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with phenol
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, PHENOL, ...
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-05-22
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZIG
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BU of 6zig by Molmil
Topological model of the p2 virion baseplate in activated conformation (closed Tal trimer)
Descriptor: Baseplate protein gp16, Distal tail protein, Receptor binding protein
Authors:Spinelli, S, Cambillau, C, Goulet, A.
Deposit date:2020-06-26
Release date:2020-08-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (42.200001 Å)
Cite:Structural Insights into Lactococcal Siphophage p2 Baseplate Activation Mechanism.
Viruses, 12, 2020
6YWM
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BU of 6ywm by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
6YX5
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BU of 6yx5 by Molmil
Structure of DrrA from Legionella pneumophilia in complex with human Rab8a
Descriptor: MAGNESIUM ION, Multifunctional virulence effector protein DrrA, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Schneider, S, Du, J, von Wrisberg, M.K, Lang, K, Itzen, A.
Deposit date:2020-04-30
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Rab1-AMPylation by Legionella DrrA is allosterically activated by Rab1.
Nat Commun, 12, 2021
6YZA
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BU of 6yza by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-05-06
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
6ZLN
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BU of 6zln by Molmil
CLK1 bound with GW807982X (Cpd 8)
Descriptor: 1,2-ETHANEDIOL, 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine, Dual specificity protein kinase CLK1
Authors:Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-06-30
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020

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PDB entries from 2024-09-11

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