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8BIY
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BU of 8biy by Molmil
Citrate-free extracytoplasmic PAS domain mutant R93A of sensor histidine kinase CitA from Geobacillus thermodenitrificans
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, Histidine kinase, ...
Authors:Becker, S.
Deposit date:2022-11-02
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Citrate-free extracytoplasmic PAS domain mutant R93A of sensor histidine kinase CitA from Geobacillus thermodenitrificans
To Be Published
8B2W
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BU of 8b2w by Molmil
Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A, Ampicillin, 500 MS
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8B3M
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BU of 8b3m by Molmil
Millisecond cryo-trapping by the spitrobot crystal plunger, CTXM-14 Avibactam complex, SSX, 1 sec
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-16
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8BKH
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BU of 8bkh by Molmil
Carboxymyoglobin dark state for comparison with power titration and 23 / 101 mJ/cm2 time series
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2022-11-09
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8BKN
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BU of 8bkn by Molmil
Carboxymyoglobin dark state for comparison with 5 mJ/cm2 time series
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2022-11-09
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8BEI
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BU of 8bei by Molmil
Structure of hexameric subcomplexes (Truncation Delta2-6) of the fractal citrate synthase from Synechococcus elongatus PCC7942
Descriptor: Citrate synthase
Authors:Lo, Y.K, Bohn, S, Sendker, F.L, Schuller, J.M, Hochberg, G.
Deposit date:2022-10-21
Release date:2024-02-28
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Emergence of fractal geometries in the evolution of a metabolic enzyme.
Nature, 628, 2024
8BPP
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BU of 8bpp by Molmil
crystal structure of N-ethylmaleimide reductase (nemA) from Escherichia coli
Descriptor: FLAVIN MONONUCLEOTIDE, N-ethylmaleimide reductase
Authors:Pfister, P, Tinzl, M, Erb, T.
Deposit date:2022-11-17
Release date:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Development of the Biocatalytic Reductive Aldol Reaction
To Be Published
8BL9
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BU of 8bl9 by Molmil
Crystal Structure of Sam0.7
Descriptor: Sam0.7
Authors:Maksymenko, K, ElGamacy, M, Hartmann, M.D.
Deposit date:2022-11-09
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Sam0.7
To Be Published
8BL5
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BU of 8bl5 by Molmil
Crystal Structure of Sam0.2
Descriptor: Sam0.2
Authors:Maksymenko, K, ElGamacy, M, Hartmann, M.D.
Deposit date:2022-11-09
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of Sam0.2
To Be Published
8BPQ
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BU of 8bpq by Molmil
crystal structure of N-ethylmaleimide reductase with mutation Y187F (nemA Y187F) from Escherichia coli
Descriptor: FLAVIN MONONUCLEOTIDE, N-ethylmaleimide reductase, Tb-Xo4
Authors:Pfister, P, Tinzl, M, Erb, T.
Deposit date:2022-11-17
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of the Biocatalytic Reductive Aldol Reaction
To Be Published
5I3S
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BU of 5i3s by Molmil
Crystal structure of Staphylococcal IMPase-II
Descriptor: Inositol monophosphatase family protein, PHOSPHATE ION
Authors:Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
Deposit date:2016-02-11
Release date:2016-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Staphylococcal IMPase-II
To Be Published
7NUG
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BU of 7nug by Molmil
Influenza A/California/07/2009(H1N1) endonuclease in complex with orientin
Descriptor: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Radilova, K, Brynda, J.
Deposit date:2021-03-12
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors.
Int J Mol Sci, 22, 2021
7NUH
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BU of 7nuh by Molmil
Influenza A/California/07/2009(H1N1) endonuclease with I38T mutation in complex with orientin
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Radilova, K, Brynda, J.
Deposit date:2021-03-12
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors.
Int J Mol Sci, 22, 2021
6P1M
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BU of 6p1m by Molmil
Binary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CARBON DIOXIDE, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6P1Q
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BU of 6p1q by Molmil
Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated dCMP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*(8OG)P*TP*AP*CP*G)-3'), ...
Authors:Pedersen, L.C, Kaminski, A.M, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
7KL0
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BU of 7kl0 by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
Descriptor: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ...
Authors:Ozden, C, Stratton, M.M, Garman, S.C.
Deposit date:2020-10-28
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
8K8M
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BU of 8k8m by Molmil
Crystallographic structure of Lysozyme C from chicken
Descriptor: GLYCEROL, Lysozyme C
Authors:Zheng, P, Shang, G, Jin, J, He, L.
Deposit date:2023-07-31
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic structure of Lysozyme C from chicken
To Be Published
6P1U
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BU of 6p1u by Molmil
Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated CMP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6P1R
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BU of 6p1r by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming AMPNPP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, CHLORIDE ION, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
7C1B
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BU of 7c1b by Molmil
Crystal structure of a dinucleotide-binding protein (F79A/Y224A/Y246A and deletion of residues 50-75) of ABC transporter (unbound form)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sugar ABC transporter, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-02
Release date:2021-03-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
6PH5
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BU of 6ph5 by Molmil
Binary product complex crystal structure of DNA polymerase Beta with an extra-helical template base
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2019-06-25
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:DNA polymerase beta nucleotide-stabilized template misalignment fidelity depends on local sequence context.
J.Biol.Chem., 295, 2020
6PA5
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BU of 6pa5 by Molmil
ECAII(T89V,K162T) MUTANT IN COMPLEX WITH L-ASN AT PH 8.3 IN SPACE GROUP P2(1)
Descriptor: ASPARAGINE, GLYCEROL, IMIDAZOLE, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
5DOG
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BU of 5dog by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-(Benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)thio]benzene- sulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2015-09-11
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
5DMU
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BU of 5dmu by Molmil
Structure of the NHEJ polymerase from Methanocella paludicola
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NHEJ Polymerase, ...
Authors:Brissett, N.C, Bartlett, E.J, Doherty, A.J.
Deposit date:2015-09-09
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Molecular basis for DNA strand displacement by NHEJ repair polymerases.
Nucleic Acids Res., 44, 2016
6PA2
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BU of 6pa2 by Molmil
E. coli L-asparaginase II mutant (K162M) in complex with L-Asp at pH 5.6
Descriptor: ASPARTIC ACID, GLYCEROL, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019

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PDB entries from 2024-10-23

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