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7OHH
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BU of 7ohh by Molmil
SaFtsZ complexed with GDP and BeF3-
Descriptor: BERYLLIUM TRIFLUORIDE ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2021-05-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
6M01
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BU of 6m01 by Molmil
The structure of HitB-HitD complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Miyanaga, A, Kurihara, S, Kudo, F, Eguchi, T.
Deposit date:2020-02-19
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Complex of Adenylation Domain and Carrier Protein by Using Pantetheine Cross-Linking Probe.
Acs Chem.Biol., 15, 2020
7NTT
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BU of 7ntt by Molmil
Crystal structure of the SARS-CoV-2 Main Protease
Descriptor: 3C-like proteinase, FORMIC ACID, SODIUM ION
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-10
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.743 Å)
Cite:Crystal structure of the SARS-CoV-2 Main Protease
To Be Published
8Q2E
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BU of 8q2e by Molmil
The 1.68-A X-ray crystal structure of Sporosarcina pasteurii urease inhibited by thiram and bound to dimethylditiocarbamate
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2023-08-02
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Kinetic and structural details of urease inactivation by thiuram disulphides.
J.Inorg.Biochem., 250, 2023
5BPG
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BU of 5bpg by Molmil
Crystal structure of the water-soluble FraC purified starting from the trans-membrane pore
Descriptor: CHLORIDE ION, Fragaceatoxin C, GLYCEROL
Authors:Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
Deposit date:2015-05-28
Release date:2015-11-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Bidirectional Transformation of a Metamorphic Protein between the Water-Soluble and Transmembrane Native States
Biochemistry, 54, 2015
7NTW
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BU of 7ntw by Molmil
Crystal structure of the SARS-CoV-2 Main Protease with a Zinc ion coordinated in the active site
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.815 Å)
Cite:Crystal structure of the SARS-CoV-2 Main Protease with a Zinc ion coordinated in the active site
To Be Published
6V5N
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BU of 6v5n by Molmil
EGFR(T790M/V948R) in complex with LN2084
Descriptor: 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol, CHLORIDE ION, Epidermal growth factor receptor
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2019-12-04
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
8DH2
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BU of 8dh2 by Molmil
T7 RNA polymerase elongation complex with unnatural base dDs-ATP mismatch
Descriptor: GLYCEROL, MAGNESIUM ION, Non-template strand DNA, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
6V2O
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BU of 6v2o by Molmil
HLA-B*57:01 presenting the peptide ASLNLPAVSW
Descriptor: ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
7WNW
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BU of 7wnw by Molmil
Crystal structure of Imine Reductase Mutant(M5) from Actinoalloteichus hymeniacidonis in complex with NADPH
Descriptor: 3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhand, J, Chen, R, Gao, S.
Deposit date:2022-01-19
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Tuning an Imine Reductase for the Asymmetric Synthesis of Azacycloalkylamines by Concise Structure-Guided Engineering.
Angew.Chem.Int.Ed.Engl., 61, 2022
7SP0
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BU of 7sp0 by Molmil
Crystal structure of human SFPQ L534I mutant in complex with zinc
Descriptor: Splicing factor, proline- and glutamine-rich, ZINC ION
Authors:Lee, M.
Deposit date:2021-11-01
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Familial ALS-associated SFPQ variants promote the formation of SFPQ cytoplasmic aggregates in primary neurons.
Open Biology, 12, 2022
7OJC
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BU of 7ojc by Molmil
SaFtsZ(Q48A) complexed with GDP
Descriptor: 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2021-05-14
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
6AV3
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BU of 6av3 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(3-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
Descriptor: 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
7OC8
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BU of 7oc8 by Molmil
Trichoderma reesei Cel7A E212Q mutant in complex with pNPL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ...
Authors:Haataja, T, Sandgren, M, Stahlberg, J.
Deposit date:2021-04-26
Release date:2022-03-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
6B6I
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BU of 6b6i by Molmil
2.4A resolution structure of human Norovirus GII.4 protease
Descriptor: 3C-like protease
Authors:Muzzarelli, K.M, Kuiper, B.D, Spellmon, N.S, Hackett, J, Brunzelle, J.S, Kovari, I.A, Amblard, F, Yang, Z, Schinazi, R.F, Kovari, L.C.
Deposit date:2017-10-02
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural and Antiviral Studies of the Human Norovirus GII.4 Protease.
Biochemistry, 58, 2019
6AN5
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BU of 6an5 by Molmil
Crystal Structure of The Nucelotide Binding Domain of an O-antigen polysaccharide ABC-transporter
Descriptor: ABC transporter
Authors:Zimmer, J, Bi, Y.
Deposit date:2017-08-12
Release date:2017-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.512 Å)
Cite:Architecture of a channel-forming O-antigen polysaccharide ABC transporter.
Nature, 553, 2018
7OHN
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BU of 7ohn by Molmil
SaFtsZ complexed with GDP, AlF4- and Mg2+
Descriptor: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2021-05-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
6V80
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BU of 6v80 by Molmil
Crystal structure of human CD1d presenting alpha-Galactosylceramide in complex with NKT12 TCR and VHH nanobody 1D12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
Authors:Shahine, A, Rossjohn, J.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
7OJB
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BU of 7ojb by Molmil
SaFtsZ(R143K) complexed with GDP
Descriptor: 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2021-05-14
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
7SOJ
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BU of 7soj by Molmil
Structure of V750A Soybean Lipoxygenase at 277K
Descriptor: FE (III) ION, Lipoxygenase
Authors:Gee, C.L, Offenbacher, A.R, Hu, S.
Deposit date:2021-10-31
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Temporal and spatial resolution of distal protein motions that activate hydrogen tunneling in soybean lipoxygenase.
Proc.Natl.Acad.Sci.USA, 120, 2023
6V95
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BU of 6v95 by Molmil
Peanut lectin complexed with divalent N-beta-D-galactopyranosyl-L-tartaramidoyl derivative (diNGT)
Descriptor: (2R,3R)-N-[(1-{(3S,3aR,6S,6aR)-6-[4-({[(2R,3R)-2,3-dihydroxy-4-oxo-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-N'-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide (non-preferred name), CALCIUM ION, Galactose-binding lectin, ...
Authors:Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L.
Deposit date:2019-12-13
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
7OAR
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BU of 7oar by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai in complex with parallel G-quadruplex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (28-MER), MAGNESIUM ION, ...
Authors:Dai, Y.X, Liu, N.N, Guo, H.L, Chen, W.F, Rety, S, Xi, X.G.
Deposit date:2021-04-20
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural mechanism underpinning Thermus oshimai Pif1-mediated G-quadruplex unfolding.
Embo Rep., 23, 2022
6V9K
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BU of 6v9k by Molmil
CRYSTAL STRUCTURE OF THE HYBRID C-TERMINAL DOMAIN OF ENZYME I OF THE BACTERIAL PHOSPHOTRANSFERASE SYSTEM FORMED BY HYBRIDIZING THE SCAFFOLD OF THE ESCHERICHIA COLI ENZYME WITH THE ACTIVE SITE LOOPS FROM THE THERMOANAEROBACTER TENGCONGENSIS ENZYME
Descriptor: MAGNESIUM ION, Phosphoenolpyruvate-protein phosphotransferase
Authors:Stewart Jr, C.E.
Deposit date:2019-12-13
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hybrid Thermophilic/Mesophilic Enzymes Reveal a Role for Conformational Disorder in Regulation of Bacterial Enzyme I.
J.Mol.Biol., 432, 2020
7OHL
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BU of 7ohl by Molmil
SaFtsZ complexed with GDP, BeF3- and Mn2+
Descriptor: BERYLLIUM TRIFLUORIDE ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2021-05-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
6B89
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BU of 6b89 by Molmil
E. coli LptB in complex with ADP and novobiocin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION, ...
Authors:May, J.M, Lazarus, M.B, Sherman, D.J, Owens, T.W, Mandler, M.D, Kahne, D.K.
Deposit date:2017-10-05
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport.
J. Am. Chem. Soc., 139, 2017

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PDB entries from 2024-08-21

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