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7A0X
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BU of 7a0x by Molmil
Structure of dimeric sodium proton antiporter NhaA, at pH 6.0, crystallized with chimeric Fab antibodies
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ...
Authors:Fippel, A, Lentes, C.J, Mir, S.H, Wirth, C, Hunte, C.
Deposit date:2020-08-11
Release date:2022-02-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters
To Be Published
7V28
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BU of 7v28 by Molmil
Crystal Structure of phthalate dioxygenase in complex with terephthalate
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Rieske (2Fe-2S) domain protein, ...
Authors:Mahto, J.K, Kumar, P.
Deposit date:2021-08-07
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
5VZ0
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BU of 5vz0 by Molmil
Crystal structure of Lactococcus lactis pyruvate carboxylase G746A mutant in complex with cyclic-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Choi, P.H, Tong, L.
Deposit date:2017-05-26
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional studies of pyruvate carboxylase regulation by cyclic di-AMP in lactic acid bacteria.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5BXR
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BU of 5bxr by Molmil
LNBase in complex with LNB-NHAcDNJ
Descriptor: 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Lacto-N-biosidase, SULFATE ION, ...
Authors:Ito, T, Arakawa, T, Fushinobu, S.
Deposit date:2015-06-09
Release date:2015-09-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
6YB9
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BU of 6yb9 by Molmil
Human octameric PAICS in complex with SAICAR, AMP-PNP, and magnesium
Descriptor: (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P.
Deposit date:2020-03-16
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target.
J.Biol.Chem., 295, 2020
7A0Y
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BU of 7a0y by Molmil
Structure of dimeric sodium proton antiporter NhaA K300R variant, at pH 8.2, crystallized with chimeric Fab antibodies
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Fippel, A, Mir, S.H, Lentes, C.J, Wirth, C, Hunte, C.
Deposit date:2020-08-11
Release date:2022-02-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters
To Be Published
8YSW
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BU of 8ysw by Molmil
phosphinothricin dehydrogenase
Descriptor: 1,2-ETHANEDIOL, Glutamate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Xue, Y.P, Cheng, F, Zhou, S.P, Xu, J.M, Jin, L.Q, Ma, C.J, Zheng, Y.G.
Deposit date:2024-03-23
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal Structure of phosphinothricin dehydrogenase with NAD at 2.6 Angstorms resolution
To Be Published
5GU3
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BU of 5gu3 by Molmil
Crystal structure of Au(E).CL-apo-E45C/R52C-rHLFr
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ...
Authors:Maity, B, Abe, S, Ueno, T.
Deposit date:2016-08-24
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Observation of gold sub-nanocluster nucleation within a crystalline protein cage
Nat Commun, 8, 2017
8FKF
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BU of 8fkf by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide, GLYCEROL, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKD
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BU of 8fkd by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
4QGP
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BU of 4qgp by Molmil
Crystal structure of a pyrophosphatase (AF1178) from Archaeoglobus fulgidus DSM 4304 at 1.80 A resolution
Descriptor: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-05-23
Release date:2014-07-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of a pyrophosphatase (AF1178) from Archaeoglobus fulgidus DSM 4304 at 1.80 A resolution
To be published
8FKG
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BU of 8fkg by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide, GLYCEROL, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKC
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BU of 8fkc by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
6EQ8
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BU of 6eq8 by Molmil
Structure of the periplasmic binding protein (PBP) MelB (Atu4661) in complex with galactinol from agrobacterium fabrum C58
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, CALCIUM ION, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-10-12
Release date:2018-04-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The plant defense signal galactinol is specifically used as a nutrient by the bacterial pathogenAgrobacterium fabrum.
J. Biol. Chem., 293, 2018
8FKE
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BU of 8fke by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
6T03
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BU of 6t03 by Molmil
Crystal structure of YTHDC1 with fragment 16 (DHU_DC1_017)
Descriptor: 1,3-dihydroimidazole-2-thione, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-02
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
8ZIM
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BU of 8zim by Molmil
Crystal structure of the methyltransferase PsiM in complex with SAH and Baeocystin
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Baeocystin, GLYCEROL, ...
Authors:Meng, C.Y, Wen, Y, Guo, W.T, Wu, B.X.
Deposit date:2024-05-14
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis for psilocybin biosynthesis.
Nat Commun, 16, 2025
8ABU
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BU of 8abu by Molmil
Crystal structure of NaLdpA mutant H97Q in complex with erythro-DGPD
Descriptor: (1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SnoaL-like domain-containing protein
Authors:Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E.
Deposit date:2022-07-04
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.661 Å)
Cite:Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
6MXT
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BU of 6mxt by Molmil
Crystal structure of human beta2 adrenergic receptor bound to salmeterol and Nb71
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endolysin, ...
Authors:Masureel, M, Zou, Y, Picard, L.P, van der Westhuizen, E, Mahoney, J.P, Rodrigues, J.P.G.L.M, Mildorf, T.J, Dror, R.O, Shaw, D.E, Bouvier, M, Pardon, E, Steyaert, J, Sunahara, R.K, Weis, W.I, Zhang, C, Kobilka, B.K.
Deposit date:2018-10-31
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95934224 Å)
Cite:Structural insights into binding specificity, efficacy and bias of a beta2AR partial agonist.
Nat. Chem. Biol., 14, 2018
9G0D
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BU of 9g0d by Molmil
Structure of human Mical1 bMERB_V978A domain:Rab10 complex.
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-10, ...
Authors:Rai, A, Goody, R.S.
Deposit date:2024-07-08
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biochemical and structural insights into the auto-inhibited state of Mical1 and its activation by Rab8
Elife, 2024
5M6D
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BU of 5m6d by Molmil
Streptococcus pneumoniae Glyceraldehyde-3-Phosphate Dehydrogenase (SpGAPDH) crystal structure
Descriptor: ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Gaboriaud, C, Moreau, C.P, Di Guilmi, A.M.
Deposit date:2016-10-25
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deciphering Key Residues Involved in the Virulence-promoting Interactions between Streptococcus pneumoniae and Human Plasminogen.
J. Biol. Chem., 292, 2017
8ABW
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BU of 8abw by Molmil
Crystal structure of SpLdpA in complex with threo-DGPD
Descriptor: (1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, (1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SULFATE ION, ...
Authors:Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E.
Deposit date:2022-07-04
Release date:2023-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
5JRQ
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BU of 5jrq by Molmil
BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide, ...
Authors:Grasso, M.J, Marmorstein, R.
Deposit date:2016-05-06
Release date:2016-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.287 Å)
Cite:Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
7S8W
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BU of 7s8w by Molmil
Amycolatopsis sp. T-1-60 N-succinylamino acid racemase/o-succinylbenzoate synthase R266Q mutant in complex with N-succinylphenylglycine
Descriptor: MAGNESIUM ION, N-succinyl-L-phenylglycine, N-succinylamino acid racemase/O-succinylbenzoate synthase, ...
Authors:Truong, D.P, Rousseau, S, Sacchettini, J.C, Glasner, M.E.
Deposit date:2021-09-20
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Second-Shell Amino Acid R266 Helps Determine N -Succinylamino Acid Racemase Reaction Specificity in Promiscuous N -Succinylamino Acid Racemase/ o -Succinylbenzoate Synthase Enzymes.
Biochemistry, 60, 2021
5GIG
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BU of 5gig by Molmil
Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-dopamine
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, COENZYME A, Dopamine N-acetyltransferase, ...
Authors:Yang, Y.C, Wu, C.Y, Cheng, H.C, Lyu, P.C.
Deposit date:2016-06-23
Release date:2017-07-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-dopamine
To Be Published

244693

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