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6I25
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BU of 6i25 by Molmil
Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism
Descriptor: 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, Aureochrome1-like protein, CHLORIDE ION, ...
Authors:Rizkallah, P.J, Kalvaitis, M.E.
Deposit date:2018-10-31
Release date:2019-06-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation.
Biochemistry, 58, 2019
6BIO
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BU of 6bio by Molmil
Structure of NlpC1 from Trichomonas vaginalis
Descriptor: Clan CA, family C40, NlpC/P60 superfamily cysteine peptidase
Authors:Pinheiro, J, Simoes-Barbosa, A, Goldstone, D.C.
Deposit date:2017-11-02
Release date:2018-11-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The ProtozoanTrichomonas vaginalisTargets Bacteria with Laterally Acquired NlpC/P60 Peptidoglycan Hydrolases.
Mbio, 9, 2018
7ZC7
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BU of 7zc7 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941
Descriptor: 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Davies, J.R, Scaletti, E, Stenmark, P.
Deposit date:2022-03-25
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941
To Be Published
6BML
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BU of 6bml by Molmil
Structure of human DHHC20 palmitoyltransferase, irreversibly inhibited by 2-bromopalmitate
Descriptor: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, PALMITIC ACID, PHOSPHATE ION, ...
Authors:Rana, M.S, Lee, C.-J, Banerjee, A.
Deposit date:2017-11-15
Release date:2018-01-24
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Fatty acyl recognition and transfer by an integral membraneS-acyltransferase.
Science, 359, 2018
6I20
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BU of 6i20 by Molmil
Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A.
Deposit date:2018-10-31
Release date:2019-05-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation.
Biochemistry, 58, 2019
7YLO
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BU of 7ylo by Molmil
Conversion of indole-3-acetic acid into indole-3-aldehyde in bacteria Metabolic network of tryptophan around the indole-3-aldehyde formation
Descriptor: Dyp-type peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cheng, J, Luo, Y, Zhu, J, Tan, R, Wang, N, Lebedev, A.A.
Deposit date:2022-07-26
Release date:2023-07-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Conversion of indole-3-acetic acid into indole-3-aldehyde in bacteria Metabolic network of tryptophan around the indole-3-aldehyde formation
To Be Published
7LOW
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BU of 7low by Molmil
S-adenosylmethionine synthetase
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-10
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
6ZXM
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BU of 6zxm by Molmil
Diguanylate cyclase DgcR in complex with c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Putative GGDEF/response regulator receiver domain protein
Authors:Teixeira, R.D, Schirmer, T.
Deposit date:2020-07-29
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Activation mechanism of a small prototypic Rec-GGDEF diguanylate cyclase.
Nat Commun, 12, 2021
7LOZ
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BU of 7loz by Molmil
S-adenosylmethionine synthetase
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-11
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
6ZSZ
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BU of 6zsz by Molmil
Crystal structure of the Grindelwald extracellular domain complex
Descriptor: Protein grindelwald
Authors:Palmerini, V, Cecatiello, V, Pasqualato, S, Mapelli, M.
Deposit date:2020-07-17
Release date:2021-03-31
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Drosophila TNFRs Grindelwald and Wengen bind Eiger with different affinities and promote distinct cellular functions.
Nat Commun, 12, 2021
6BHE
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BU of 6bhe by Molmil
Crystal structure of SETDB1 with a modified H3 peptide
Descriptor: Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION
Authors:Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-10-30
Release date:2017-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
6ZXB
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BU of 6zxb by Molmil
Diguanylate cyclase DgcR (I-site mutant) in native state
Descriptor: 1,2-ETHANEDIOL, 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Teixeira, R.D, Schirmer, T.
Deposit date:2020-07-29
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Activation mechanism of a small prototypic Rec-GGDEF diguanylate cyclase.
Nat Commun, 12, 2021
8RR5
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BU of 8rr5 by Molmil
MenT1 toxin (rv0078a) from Mycobacterium tuberculosis H37Rv, phosphorylated at T39
Descriptor: Nucleotidyl transferase AbiEii/AbiGii toxin family protein
Authors:Arrowsmith, T.J, Blower, T.R.
Deposit date:2024-01-22
Release date:2024-09-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inducible auto-phosphorylation regulates a widespread family of nucleotidyltransferase toxins.
Nat Commun, 15, 2024
6BJT
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BU of 6bjt by Molmil
The structure of AtzH: a little known member of the atrazine breakdown pathway
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Peat, T.S, Newman, J, Scott, C, Esquirol, L.
Deposit date:2017-11-07
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A novel decarboxylating amidohydrolase involved in avoiding metabolic dead ends during cyanuric acid catabolism in Pseudomonas sp. strain ADP.
PLoS ONE, 13, 2018
6ZXC
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BU of 6zxc by Molmil
Diguanylate cyclase DgcR (I-site mutant) in activated state
Descriptor: 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative GGDEF/response regulator receiver domain protein
Authors:Teixeira, R.D, Schirmer, T.
Deposit date:2020-07-29
Release date:2021-03-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation mechanism of a small prototypic Rec-GGDEF diguanylate cyclase.
Nat Commun, 12, 2021
7ADA
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BU of 7ada by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai mutant Q164C-E409C
Descriptor: PIF1 helicase
Authors:Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
Deposit date:2020-09-14
Release date:2021-04-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
6BK9
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BU of 6bk9 by Molmil
Crystal Structure of Squid Arrestin
Descriptor: CHLORIDE ION, Visual arrestin
Authors:Eger, B.T, Bandyopadhyay, A, Yedidi, R.S, Ernst, O.P.
Deposit date:2017-11-08
Release date:2018-09-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.00005579 Å)
Cite:A Novel Polar Core and Weakly Fixed C-Tail in Squid Arrestin Provide New Insight into Interaction with Rhodopsin.
J. Mol. Biol., 430, 2018
7Q7L
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BU of 7q7l by Molmil
JAK2 in complex with 4-(2-amino-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-ethyl-2-fluorophenol
Descriptor: 4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Rowland, P.
Deposit date:2021-11-09
Release date:2022-02-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
6IU9
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BU of 6iu9 by Molmil
Crystal structure of cytoplasmic metal binding domain with iron ions
Descriptor: FE (II) ION, VIT1, ZINC ION
Authors:Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
Deposit date:2018-11-27
Release date:2019-02-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
7YIK
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BU of 7yik by Molmil
The structure of archaeal nuclease RecJ2 from Methanocaldococcus jannaschii
Descriptor: nuclease RecJ2
Authors:Wang, W.W, Liu, X.P.
Deposit date:2022-07-16
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.191 Å)
Cite:The structure of archaeal nuclease RecJ2 from Methanocaldococcus jannaschii
To Be Published
7YIL
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BU of 7yil by Molmil
The structure of GINS from Methanocaldococcus jannaschii
Descriptor: GINS
Authors:Wang, W.W, Liu, X.P.
Deposit date:2022-07-16
Release date:2023-07-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The structure of GINS from Methanocaldococcus jannaschii
To Be Published
7QUE
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BU of 7que by Molmil
The STK17A (DRAK1) Kinase Domain Bound to CKJB68
Descriptor: Serine/threonine-protein kinase 17A, ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
Authors:Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S.
Deposit date:2022-01-17
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles.
J.Med.Chem., 65, 2022
7YPE
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BU of 7ype by Molmil
Crystal structure of AsfvPCNA in space group of P63
Descriptor: E301R, GLYCEROL
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2022-08-03
Release date:2023-07-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional studies of PCNA from African swine fever virus.
J.Virol., 97, 2023
8RR6
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BU of 8rr6 by Molmil
MenT3 (aka TglT) toxin (Rv1045) from Mycobacterium tuberculosis H37Rv, non-phosphorylated
Descriptor: Nucleotidyl transferase AbiEii/AbiGii toxin family protein
Authors:Arrowsmith, T.J, Blower, T.R.
Deposit date:2024-01-22
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Inducible auto-phosphorylation regulates a widespread family of nucleotidyltransferase toxins.
Nat Commun, 15, 2024
7LNN
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BU of 7lnn by Molmil
E. coli S-adenosyl methionine transferase co-crystallized with guanosine-5'-imidotriphosphate
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-08
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021

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PDB entries from 2024-11-06

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