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6FP0
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BU of 6fp0 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
Descriptor: (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FOX
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BU of 6fox by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
Descriptor: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6KC0
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BU of 6kc0 by Molmil
fused To-MtbCsm1 with 2ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION
Authors:Li, T, Huo, Y, Jiang, T.
Deposit date:2019-06-26
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
6KUE
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BU of 6kue by Molmil
The structure of BioZ from Agrobacterium tumefaciens
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase III
Authors:Ouyang, S, Hongxin, G, Sitao, Z.
Deposit date:2019-09-01
Release date:2020-09-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Biochemical and structural characterization of the BioZ enzyme engaged in bacterial biotin synthesis pathway.
Nat Commun, 12, 2021
6VUQ
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BU of 6vuq by Molmil
Crystal structure of CHIKV nsP3 macrodomain soaked with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Nonstructural polyprotein
Authors:Wu, M.
Deposit date:2020-02-16
Release date:2021-01-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6OAP
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BU of 6oap by Molmil
Crystal structure of a dual sensor histidine kinase in the green-light absorbing Pg state
Descriptor: Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN
Authors:Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y.
Deposit date:2019-03-18
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OAQ
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BU of 6oaq by Molmil
Crystal structure of a dual sensor histidine kinase in BeF3- bound state
Descriptor: BERYLLIUM TRIFLUORIDE ION, Dual sensor histidine kinase, MAGNESIUM ION, ...
Authors:Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y.
Deposit date:2019-03-18
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OB8
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BU of 6ob8 by Molmil
Crystal structure of a dual sensor histidine kinase in green light illuminated state
Descriptor: Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN
Authors:Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y.
Deposit date:2019-03-19
Release date:2019-09-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
3J9B
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BU of 3j9b by Molmil
Electron cryo-microscopy of an RNA polymerase
Descriptor: Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ...
Authors:Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F.
Deposit date:2014-12-16
Release date:2015-02-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution.
Mol.Cell, 2015
6OZB
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BU of 6ozb by Molmil
Crystal structure of the phycoerythrobilin-bound GAF domain from a cyanobacterial phytochrome
Descriptor: PHYCOERYTHROBILIN, Two-component sensor histidine kinase
Authors:Heewhan, S, Xiaoli, Z, Yafang, S, Zhong, R, Wolfgang, G, Kai, H.Z, Xiaojing, Y.
Deposit date:2019-05-15
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome.
Proc.Natl.Acad.Sci.USA, 117, 2020
6OZA
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BU of 6oza by Molmil
Crystal structure of the phycocyanobilin-bound GAF domain from a cyanobacterial phytochrome
Descriptor: PHYCOCYANOBILIN, Two-component sensor histidine kinase
Authors:Heewhan, S, Xiaoli, Z, Yafang, S, Zhong, R, Wolfgang, G, Kai, H.Z, Xiaojing, Y.
Deposit date:2019-05-15
Release date:2020-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome.
Proc.Natl.Acad.Sci.USA, 117, 2020
8JSC
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BU of 8jsc by Molmil
Structure of the FSP1 protein from Human
Descriptor: 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, Ferroptosis suppressor protein 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, S.T, Jia, D.
Deposit date:2023-06-19
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:FSP1 oxidizes NADPH to suppress ferroptosis.
Cell Res., 33, 2023
8UZL
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BU of 8uzl by Molmil
Designed Transmembrane beta-barrel- TMB10_163
Descriptor: Designed Transmembrane beta-barrel TMB10_163, HEXANE-1,6-DIOL
Authors:Bera, A.K, Lemma, S.B, Kang, A, Baker, D.
Deposit date:2023-11-15
Release date:2024-07-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Sculpting conducting nanopore size and shape through de novo protein design.
Science, 385, 2024
8SNZ
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BU of 8snz by Molmil
X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin
Authors:Ansari, A, Khan, S.A, Miller, A.F.
Deposit date:2023-04-28
Release date:2024-03-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure, dynamics, and redox reactivity of an all-purpose flavodoxin.
J.Biol.Chem., 300, 2024
8V2Y
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BU of 8v2y by Molmil
Room temperature X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin
Authors:Ansari, A, Khan, S.A, Miller, A.F.
Deposit date:2023-11-24
Release date:2024-03-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structure, dynamics, and redox reactivity of an all-purpose flavodoxin.
J.Biol.Chem., 300, 2024
8IJK
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BU of 8ijk by Molmil
human KCNQ2-CaM-Ebio1 complex in the presence of PIP2
Descriptor: Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Ma, D, Guo, J.
Deposit date:2023-02-27
Release date:2024-01-17
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
8D0Z
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BU of 8d0z by Molmil
S728-1157 IgG in complex with SARS-CoV-2-6P-Mut7 Spike protein (focused refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S728-1157 Fab heavy chain variable region, S728-1157 Fab light chain variable region, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2022-05-26
Release date:2023-03-22
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Site of vulnerability on SARS-CoV-2 spike induces broadly protective antibody against antigenically distinct Omicron subvariants.
J.Clin.Invest., 133, 2023
6WTB
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BU of 6wtb by Molmil
Sort-Tagged Drosophila Cryptochrome
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION
Authors:Schneps, C.M, Crane, B.R.
Deposit date:2020-05-02
Release date:2021-05-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Tuning flavin environment to detect and control light-induced conformational switching in Drosophila cryptochrome.
Commun Biol, 4, 2021
5JYO
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BU of 5jyo by Molmil
Allosteric inhibition of Kidney Isoform of Glutaminase
Descriptor: 2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial
Authors:Sivaraman, J, Jayaraman, S.
Deposit date:2016-05-15
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Structural basis for exploring the allosteric inhibition of human kidney type glutaminase.
Oncotarget, 7, 2016
7FJH
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BU of 7fjh by Molmil
LecA from Pseudomonas aeruginosa in complex with 4-Phenylbutyryl hydroxamic acid (CAS: 32153-46-1)
Descriptor: CALCIUM ION, N-oxidanyl-4-phenyl-butanamide, PA-I galactophilic lectin
Authors:Shanina, S, Kuhaudomlarp, S, Siebs, E, Fuchsberger, F, Denis, M, da Silva Figueiredo Celstino Gomes, P, Clausen, M.H, Seeberger, P.H, Rognan, D, Titz, A, Imberty, A, Rademacher, C.
Deposit date:2021-08-04
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Targeting undruggable carbohydrate recognition sites through focused fragment library design.
Commun Chem, 5, 2022
5WYX
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BU of 5wyx by Molmil
Crystal structure of human TLR8 in complex with CU-CPT8m
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2017-01-16
Release date:2017-12-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
5WYZ
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BU of 5wyz by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2017-01-16
Release date:2017-12-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
7BXU
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BU of 7bxu by Molmil
CLC-7/Ostm1 membrane protein complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H(+)/Cl(-) exchange transporter 7, Osteopetrosis-associated transmembrane protein 1
Authors:Zhang, S.S, Yang, M.J.
Deposit date:2020-04-20
Release date:2020-09-16
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular insights into the human CLC-7/Ostm1 transporter.
Sci Adv, 6, 2020
5YE2
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BU of 5ye2 by Molmil
mammalian endo-lysosomal TRPML1 channel inserting into amphipol
Descriptor: mammalian endo-lysosomal TRPML1 channel
Authors:Yang, M, Gao, N.
Deposit date:2017-09-15
Release date:2017-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Cryo-EM structures of the mammalian endo-lysosomal TRPML1 channel elucidate the combined regulation mechanism
Protein Cell, 8, 2017
5YE1
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BU of 5ye1 by Molmil
structure of endo-lysosomal TRPML1 channel inserting into amphipol: state 2
Descriptor: Mucolipin-1
Authors:Yang, M, Gao, N.
Deposit date:2017-09-15
Release date:2017-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Cryo-EM structures of the mammalian endo-lysosomal TRPML1 channel elucidate the combined regulation mechanism
Protein Cell, 8, 2017

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