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3L77
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X-ray structure alcohol dehydrogenase from archaeon Thermococcus sibiricus complexed with 5-hydroxy-NADP
分子名称: 1,2-ETHANEDIOL, 5-hydroxy-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GLYCEROL, ...
著者Lyashenko, A.V, Lashkov, A.A, Gabdoulkhakov, A.G, Mikhailov, A.M.
登録日2009-12-28
公開日2011-01-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-ray structure alcohol dehydrogenase from archaeon Thermococcus sibiricus complexed with 5-hydroxy-NADP
To be Published
9KQP
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PSI-LHCI supercomplex binding with 10 Lhcas from C. subellipsoidea
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one, ...
著者Tsai, P.-C, Kato, K, Shen, J.-R, Akita, F.
登録日2024-11-26
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (1.92 Å)
主引用文献Structural study of the chlorophyll between Lhca8 and PsaJ in an Antarctica green algal photosystem I-LHCI supercomplex revealed by its atomic structure.
Biochim Biophys Acta Bioenerg, 1866, 2025
6KTK
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BU of 6ktk by Molmil
Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NADH and L-glucono-1,5-lactone, from Paracoccus laeviglucosivorans
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-glucono-1,5-lactone, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity, ...
著者Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S.
登録日2019-08-28
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans.
Biosci.Biotechnol.Biochem., 84, 2020
6AI6
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BU of 6ai6 by Molmil
Crystal structure of SpCas9-NG
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), ...
著者Nishimasu, H, Hirano, S, Ishitani, R, Nureki, O.
登録日2018-08-21
公開日2018-10-31
最終更新日2025-09-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Engineered CRISPR-Cas9 nuclease with expanded targeting space
Science, 361, 2018
2R8G
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BU of 2r8g by Molmil
Selectivity of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (PdG) by the Sulfolobus solfataricus DNA Polymerase Dpo4 Polymerase
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DGP*DGP*DGP*DGP*DGP*DAP*DAP*DGP*DGP*DAP*DTP*DTP*DT)-3', 5'-D(*DTP*DCP*DAP*DCP*(P)P*DGP*DAP*DAP*DAP*DTP*DCP*DCP*DTP*DTP*DCP*DCP*DCP*DCP*DC)-3', ...
著者Wang, Y, Saleh, S, Marnette, L.J, Egli, M, Stone, M.P.
登録日2007-09-10
公開日2008-07-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insertion of dNTPs opposite the 1,N2-propanodeoxyguanosine adduct by Sulfolobus solfataricus P2 DNA polymerase IV
Biochemistry, 47, 2008
5NIT
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BU of 5nit by Molmil
Glucose oxidase mutant A2
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Hoffmann, K.
登録日2017-03-27
公開日2017-11-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
6AKI
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BU of 6aki by Molmil
Calcium release-activated calcium channel protein 1, P288L mutant
分子名称: CHLORIDE ION, Calcium release-activated calcium channel protein 1
著者Liu, X, Wu, G, Yang, X, Shen, Y.
登録日2018-09-01
公開日2019-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (4.496 Å)
主引用文献Calcium release-activated calcium channel protein 1, P288L mutant
To Be Published
6THE
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BU of 6the by Molmil
Crystal structure of core domain of four-domain heme-cupredoxin-Cu nitrite reductase from Bradyrhizobium sp. ORS 375
分子名称: CHLORIDE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Sasaki, D, Watanabe, T.F, Eady, R.R, Garratt, R.C, Antonyuk, S.V, Hasnain, S.S.
登録日2019-11-20
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Reverse protein engineering of a novel 4-domain copper nitrite reductase reveals functional regulation by protein-protein interaction.
Febs J., 288, 2021
5E93
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BU of 5e93 by Molmil
Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0071
分子名称: 1,2-ETHANEDIOL, 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, CACODYLATE ION, ...
著者Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K.
登録日2015-10-14
公開日2016-10-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
3LG4
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BU of 3lg4 by Molmil
Staphylococcus aureus V31Y, F92I mutant dihydrofolate reductase complexed with NADPH and 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
分子名称: 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Frey, K.M, Anderson, A.C.
登録日2010-07-08
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Predicting resistance mutations using protein design algorithms.
Proc.Natl.Acad.Sci.USA, 107, 2010
6ZKP
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BU of 6zkp by Molmil
Native complex I, open1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ADENOSINE MONOPHOSPHATE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6ZKG
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BU of 6zkg by Molmil
Complex I with NADH, closed
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6ZKU
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BU of 6zku by Molmil
Deactive complex I, open3
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ADENOSINE MONOPHOSPHATE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6BAC
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BU of 6bac by Molmil
Crystal Structure of Aspartate-Semialdehyde Dehydrogenase from Neisseria gonorrhoeae
分子名称: 1,2-ETHANEDIOL, Aspartate-semialdehyde dehydrogenase, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-10-12
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Aspartate-Semialdehyde Dehydrogenase from Neisseria gonorrhoeae
to be published
5EA9
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BU of 5ea9 by Molmil
Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130
分子名称: 1,2-ETHANEDIOL, 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, COBALT HEXAMMINE(III), ...
著者Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K.
登録日2015-10-15
公開日2016-10-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
5DWJ
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BU of 5dwj by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 4-Fluoro-substituted Diaryl-imine analog 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
分子名称: 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-22
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
6F7D
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BU of 6f7d by Molmil
Crystal structure of Dettilon tailspike protein (gp208)
分子名称: 1,2-ETHANEDIOL, Tailspike
著者Roske, Y, Heinemann, U.
登録日2017-12-08
公開日2018-12-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.634 Å)
主引用文献Time-resolved DNA release from an O-antigen-specificSalmonellabacteriophage with a contractile tail.
J.Biol.Chem., 294, 2019
5UME
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BU of 5ume by Molmil
Crystal Structure of 5,10-Methylenetetrahydrofolate Reductase MetF from Haemophilus influenzae
分子名称: 1,2-ETHANEDIOL, 5,10-methylenetetrahydrofolate reductase, ACETIC ACID, ...
著者Kim, Y, Mulligan, R, Maltseva, N, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-01-27
公開日2017-02-22
最終更新日2025-06-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural genomics of bacterial drug targets: Application of a high-throughput pipeline to solve 58 protein structures from pathogenic and related bacteria.
Microbiol Resour Announc, 14, 2025
6SPH
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BU of 6sph by Molmil
A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 WITH EBSELEN BOND IN C2 SPACE GROUP
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-phenyl-2-selanylbenzamide, ...
著者Shahid, M, Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S.
登録日2019-09-01
公開日2020-03-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
4LIH
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BU of 4lih by Molmil
The crystal structure of Gamma-glutamyl-gamma-aminobutyraldehyde dehydrogenase from Burkholderia cenocepacia J2315
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Gamma-glutamyl-gamma-aminobutyraldehyde dehydrogenase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-07-02
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The crystal structure of Gamma-glutamyl-gamma-aminobutyraldehyde dehydrogenase from Burkholderia cenocepacia J2315
TO BE PUBLISHED
5UJF
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BU of 5ujf by Molmil
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound p218 Inhibitor
分子名称: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-01-17
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound p218 Inhibitor
TO BE PUBLISHED
5AFW
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BU of 5afw by Molmil
Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, ...
著者Metzger, E, Willmann, D, McMillan, J, Petroll, K, Metzger, P, Gerhardt, S, vonMaessenhausen, A, Schott, A.K, Espejo, A, Eberlin, A, Wohlwend, D, Schuele, K.M, Schleicher, M, Perner, S, Bedford, M.T, Dengjel, J, Flaig, R, Einsle, O, Schuele, R.
登録日2015-01-26
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Assembly of Methylated Kdm1A and Chd1 Drives Androgen Receptor-Dependent Transcription and Translocation.
Nat.Struct.Mol.Biol., 23, 2016
5JE1
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BU of 5je1 by Molmil
Crystal structure of Burkholderia glumae ToxA with bound S-adenosylhomocysteine (SAH) and toxoflavin
分子名称: 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, Methyl transferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
登録日2016-04-17
公開日2016-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016
5T6F
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BU of 5t6f by Molmil
1.90 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7l (orthorhombic P form)
分子名称: 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide, Genome polyprotein
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Damalanka, V.C, Weerawarna, P.M, Doyle, S.T, Alsoudi, A.F, Dissanayake, D.M.P, Chang, K.-O, Groutas, W.C.
登録日2016-09-01
公開日2016-11-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.
Eur J Med Chem, 126, 2016
6FIJ
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Structure of the loading/condensing region (SAT-KS-MAT) of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ...
著者Herbst, D.A, Jakob, R.P, Townsend, C.A, Maier, T.
登録日2018-01-18
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献The structural organization of substrate loading in iterative polyketide synthases.
Nat. Chem. Biol., 14, 2018

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