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8OFM
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BU of 8ofm by Molmil
Structure of the ALDEHYDE DEHYDROGENASE 5F1 (ALDH5F1) from the moss Physcomitrium patens in complex with NAD in an extended conformation
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Morera, S, Kopecny, D, Vigouroux, A.
Deposit date:2023-03-16
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway
To Be Published
8RAU
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BU of 8rau by Molmil
The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3) in the canonical mismatch bound conformation with ADP bound in MSH2 and MSH3
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*CP*AP*TP*CP*GP*AP*TP*CP*GP*CP*AP*GP*CP*TP*TP*CP*AP*GP*AP*TP*AP*GP*G)-3'), ...
Authors:Thomsen, M, Neudegger, T, Thieulin-Pardo, G, Blaesse, M, Costanzi, E, Steinbacher, S, Plotnikov, N.V, Dominguez, C, Iyer, R.R, Wilkinson, H.A, Monteagudo, E, Haque, T.S, Prasad, B.C, Finley, M, Boudet, J, Vogt, T.F, Felsenfeld, D.P.
Deposit date:2023-12-01
Release date:2025-06-11
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3) in the canonical mismatch bound conformation with ADP bound in MSH2 and MSH3
To Be Published
6NAZ
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BU of 6naz by Molmil
Crystal structure of DIRAS 2/3 chimera in complex with GDP
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, GTP-binding protein Di-Ras2,GTP-binding protein Di-Ras3,GTP-binding protein Di-Ras2, ...
Authors:Gilbert, Y.H, Reger, A, Sharma, R, Bast, J, Kim, C.
Deposit date:2018-12-06
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.081 Å)
Cite:Crystal structure of DIRAS 2/3 chimera in complex with GDP
To Be Published
8OVK
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BU of 8ovk by Molmil
Lipidic amyloid-beta(1-40) fibril - polymorph L1
Descriptor: Amyloid-beta A4 protein
Authors:Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F.
Deposit date:2023-04-26
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40).
Nat Commun, 15, 2024
8OWK
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BU of 8owk by Molmil
Lipidic amyloid-beta(1-40) fibril - polymorph L3-L3
Descriptor: Amyloid-beta A4 protein
Authors:Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F.
Deposit date:2023-04-28
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40).
Nat Commun, 15, 2024
6SX3
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BU of 6sx3 by Molmil
Intercalation of heterocyclic ligand between quartets in G-rich tetrahelical structure
Descriptor: VK2, ~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
Authors:Kotar, A, Kocman, V, Plavec, J.
Deposit date:2019-09-24
Release date:2019-12-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Intercalation of a Heterocyclic Ligand between Quartets in a G-Rich Tetrahelical Structure.
Chemistry, 26, 2020
8RM8
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BU of 8rm8 by Molmil
Cryo-EM structure of human islet amyloid polypeptide (hIAPP) mutant S28P, polymorph 1
Descriptor: Islet amyloid polypeptide
Authors:Ooi, S.A, Valli, D, Maj, M.
Deposit date:2024-01-05
Release date:2025-07-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure of human islet amyloid polypeptide (hIAPP) mutant S28P, polymorph 1
To Be Published
8AGR
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BU of 8agr by Molmil
Crystal structure of DltE from L. plantarum, apo form
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase family protein, SULFATE ION
Authors:Ravaud, S, Nikolopoulos, N, Grangeasse, C.
Deposit date:2022-07-20
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
8GUZ
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BU of 8guz by Molmil
Crystal structure of anti-FIXa IgG fab with FAST-Ig mutations
Descriptor: 1,2-ETHANEDIOL, Anti-factor IXa IgG fab heavy chain, Anti-factor IXa IgG fab light chain
Authors:Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T.
Deposit date:2022-09-14
Release date:2023-06-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A.
Mabs, 15, 2023
8OWD
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BU of 8owd by Molmil
Lipidic amyloid-beta(1-40) fibril - polymorph L3
Descriptor: Amyloid-beta A4 protein
Authors:Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F.
Deposit date:2023-04-27
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40).
Nat Commun, 15, 2024
6Y5P
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BU of 6y5p by Molmil
RING-DTC domain of Deltex1 bound to NAD
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase DTX1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Gabrielsen, M, Buetow, L, Huang, D.T.
Deposit date:2020-02-25
Release date:2020-09-30
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural insights into ADP-ribosylation of ubiquitin by Deltex family E3 ubiquitin ligases.
Sci Adv, 6, 2020
7AUC
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BU of 7auc by Molmil
Crystal structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, X, Oliver, A.W.
Deposit date:2020-11-02
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Elife, 10, 2021
8GWR
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BU of 8gwr by Molmil
Near full length Kidney type Glutaminase in complex with 2,2-Dimethyl-2,3-Dihydrobenzo[a] Phenanthridin-4(1H)-one (DDP)
Descriptor: 2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one, Glutaminase kidney isoform, mitochondrial
Authors:Shankar, S, Jobichen, C, Sivaraman, J.
Deposit date:2022-09-17
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:A novel allosteric site employs a conserved inhibition mechanism in human kidney-type glutaminase.
Febs J., 290, 2023
8J0U
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BU of 8j0u by Molmil
Crystal structure of horse spleen L-ferritin A115T mutant at -180deg Celsius.
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Maity, B, Tian, J, Abe, S, Ueno, T.
Deposit date:2023-04-12
Release date:2023-05-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Atomic-Level Insights into a Unique Semi-Clathrate Hydrate Formed in a Confined Environment of Porous Protein Crystal.
Cryst.Growth Des., 23, 2023
5MJC
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BU of 5mjc by Molmil
metNeuroglobin under oxygen at 50 bar
Descriptor: 1,4-DIETHYLENE DIOXIDE, Neuroglobin, OXYGEN MOLECULE, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P, Vallone, B.
Deposit date:2016-11-30
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
6MQQ
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BU of 6mqq by Molmil
Citrobacter freundii F448A mutant tyrosine phenol-lyase complexed with 4-hydroxypyridine and aminoacrylate from S-ethyl-L-cysteine
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, POTASSIUM ION, ...
Authors:Phillips, R.S.
Deposit date:2018-10-10
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics
Acs Catalysis, 10, 2020
6VK6
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BU of 6vk6 by Molmil
Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ...
Authors:Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2020-01-18
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel.
Biochemistry, 59, 2020
7SCF
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BU of 7scf by Molmil
M. tb EgtD in complex with HD2
Descriptor: (2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sudasinghe, T.D, Ronning, D.R.
Deposit date:2021-09-28
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
8AIN
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BU of 8ain by Molmil
MCUGI SAUNG complex
Descriptor: 1,2-ETHANEDIOL, MCUGI, SULFATE ION, ...
Authors:Muselmani, W, Savva, R.
Deposit date:2022-07-26
Release date:2023-06-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
7PGU
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BU of 7pgu by Molmil
Autoinhibited structure of human neurofibromin isoform 2 stabilized by Zinc.
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Neurofibromin, ZINC ION
Authors:Naschberger, A, Baradaran, R, Carroni, M, Rupp, B.
Deposit date:2021-08-15
Release date:2021-11-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
7PZI
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BU of 7pzi by Molmil
HBc-F97L (premature secretion phenotype) in complex with Triton X-100
Descriptor: Capsid protein, FRAGMENT OF TRITON X-100
Authors:Makbul, C, Boettcher, B.
Deposit date:2021-10-12
Release date:2021-12-08
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Binding of a Pocket Factor to Hepatitis B Virus Capsids Changes the Rotamer Conformation of Phenylalanine 97.
Viruses, 13, 2021
7SF6
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BU of 7sf6 by Molmil
Crystal Structure of Siderophore Binding Protein FatB from Desulfitobacterium hafniense
Descriptor: 1,2-ETHANEDIOL, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, CHLORIDE ION, ...
Authors:Kim, Y, Patel, H.P, Nordquist, K.A, Schaab, K.M, Sha, J, Babnigg, G, Bond, A.H, Joachimiak, A, Midwest Center for Structural Genomics, Midwest Center for Structural Genomics (MCSG)
Deposit date:2021-10-03
Release date:2021-12-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of Siderophore Binding Protein FatB from Desulfitobacterium hafniense
To Be Published
7PZK
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BU of 7pzk by Molmil
HBc-WT in complex with Triton X-100
Descriptor: Capsid protein, FRAGMENT OF TRITON X-100
Authors:Makbul, C, Boettcher, B.
Deposit date:2021-10-12
Release date:2021-12-08
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Binding of a Pocket Factor to Hepatitis B Virus Capsids Changes the Rotamer Conformation of Phenylalanine 97.
Viruses, 13, 2021
7PZN
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BU of 7pzn by Molmil
wt HBc capsid like particles in complex with inhibitory peptide SLLGRM and Triton X-100
Descriptor: Capsid protein, FRAGMENT OF TRITON X-100, SLLGRM, ...
Authors:Makbul, C, Boettcher, B.
Deposit date:2021-10-12
Release date:2021-12-08
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Binding of a Pocket Factor to Hepatitis B Virus Capsids Changes the Rotamer Conformation of Phenylalanine 97.
Viruses, 13, 2021
8S9O
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BU of 8s9o by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023

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PDB entries from 2025-11-12

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