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5AGR
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Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ...
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
3I7C
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BU of 3i7c by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NA-PP2
分子名称: 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2010-02-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
6EID
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BU of 6eid by Molmil
Crystal structure of wild-type Channelrhodopsin 2
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Archaeal-type opsin 2, PHOSPHATE ION, ...
著者Borshchevskiy, V, Kovalev, K, Volkov, O, Polovinkin, V, Marin, E, Balandin, T, Astashkin, R, Bamann, C, Bueldt, G, Willlbold, D, Popov, A, Bamberg, E, Gordeliy, V.
登録日2017-09-19
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural insights into ion conduction by channelrhodopsin 2.
Science, 358, 2017
6EIX
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Crystal structure of the kinase domain of the Q207E mutant of ACVR1 (ALK2) in complex with a 2-aminopyridine inhibitor K02288
分子名称: 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1
著者Williams, E.P, Canning, P, Sanvitale, C.E, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2017-09-19
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the kinase domain of the Q207E mutant of ACVR1 (ALK2) in complex with K02288
To be published
7JMT
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BU of 7jmt by Molmil
Crystal structure of schistosome BCL-2 bound to ABT-737
分子名称: 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein
著者Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D.
登録日2020-08-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
1EYN
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BU of 1eyn by Molmil
Structure of mura liganded with the extrinsic fluorescence probe ANS
分子名称: 8-ANILINO-1-NAPHTHALENE SULFONATE, GLYCEROL, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
著者Schonbrunn, E, Eschenburg, S, Luger, K, Kabsch, W, Amrhein, N.
登録日2000-05-07
公開日2000-06-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for the interaction of the fluorescence probe 8-anilino-1-naphthalene sulfonate (ANS) with the antibiotic target MurA.
Proc.Natl.Acad.Sci.USA, 97, 2000
8CDM
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BU of 8cdm by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002
分子名称: 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, Myosin A tail domain interacting protein, ...
著者Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A.
登録日2023-01-31
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002
To Be Published
5XJS
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BU of 5xjs by Molmil
Crystal Structure of the Gemin2-binding domain of SMN, Gemin2dN39 in Complex with SmD1(1-82)/D2/F/E from Human
分子名称: Gem-associated protein 2, Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, ...
著者Yi, H, Zhang, R.
登録日2017-05-04
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Negative cooperativity between Gemin2 and RNA provides insights into RNA selection and the SMN complex's release in snRNP assembly.
Nucleic Acids Res., 2019
4XAI
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BU of 4xai by Molmil
Crystal Structure of red flour beetle NR2E1/TLX
分子名称: Grunge, isoform J, Maltose-binding periplasmic protein,Tailless ortholog, ...
著者Zhi, X, Zhou, E, Xu, E.
登録日2014-12-14
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for corepressor assembly by the orphan nuclear receptor TLX.
Genes Dev., 29, 2015
7PX9
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BU of 7px9 by Molmil
Substrate-engaged mycobacterial Proteasome-associated ATPase - focused 3D refinement (state A)
分子名称: AAA ATPase forming ring-shaped complexes, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Jomaa, A, Kavalchuk, M, Weber-Ban, E.
登録日2021-10-08
公開日2022-01-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Nat Commun, 13, 2022
7N12
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Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct
分子名称: Leucine--tRNA ligase, SULFATE ION, [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
著者Kalthoff, E, Schmeing, M.
登録日2021-05-26
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline.
Plos Pathog., 17, 2021
7PXA
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BU of 7pxa by Molmil
Open-gate mycobacterium 20S CP proteasome in complex MPA - global 3D refinement
分子名称: AAA ATPase forming ring-shaped complexes, Proteasome subunit alpha, Proteasome subunit beta
著者Jomaa, A, Kavalchuk, M, Weber-Ban, E.
登録日2021-10-08
公開日2022-01-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Nat Commun, 13, 2022
1WDD
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BU of 1wdd by Molmil
Crystal Structure of Activated Rice Rubisco Complexed with 2-Carboxyarabinitol-1,5-bisphosphate
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Mizohata, E, Matsumura, H, Ueno, T, Ishida, H, Inoue, T, Makino, A, Mae, T, Kai, Y.
登録日2004-05-13
公開日2004-11-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of rice Rubisco and implications for activation induced by positive effectors NADPH and 6-phosphogluconate
J.Mol.Biol., 422, 2012
5DQO
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BU of 5dqo by Molmil
Crystal structure of Y347F mutant of human primase p58 iron-sulfur cluster domain
分子名称: DNA primase large subunit, IRON/SULFUR CLUSTER
著者Salay, L.E, Thompson, M.K, Chazin, W.J.
登録日2015-09-15
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The [4Fe4S] cluster of human DNA primase functions as a redox switch using DNA charge transport.
Science, 355, 2017
7PXC
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BU of 7pxc by Molmil
Substrate-engaged mycobacterial Proteasome-associated ATPase in complex with open-gate 20S CP - composite map (state A)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Jomaa, A, Kavalchuk, M, Weber-Ban, E.
登録日2021-10-08
公開日2022-01-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Nat Commun, 13, 2022
7JW7
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BU of 7jw7 by Molmil
Structure of monobody 27 human MLKL pseudokinase domain complex
分子名称: Mixed lineage kinase domain-like protein, Monobody 27
著者Meng, Y, Garnish, S.E, Koide, A, Koide, S, Czabotar, P.E, Murphy, J.M.
登録日2020-08-25
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Conformational interconversion of MLKL and disengagement from RIPK3 precede cell death by necroptosis.
Nat Commun, 12, 2021
7PXB
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BU of 7pxb by Molmil
Substrate-engaged mycobacterial Proteasome-associated ATPase - focused 3D refinement (state B)
分子名称: AAA ATPase forming ring-shaped complexes, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Jomaa, A, Kavalchuk, M, Weber-Ban, E.
登録日2021-10-08
公開日2022-01-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Nat Commun, 13, 2022
7PXD
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BU of 7pxd by Molmil
Substrate-engaged mycobacterial Proteasome-associated ATPase in complex with open-gate 20S CP - composite map (state B)
分子名称: AAA ATPase forming ring-shaped complexes, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Jomaa, A, Kavalchuk, M, Weber-Ban, E.
登録日2021-10-08
公開日2022-01-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Nat Commun, 13, 2022
4XIX
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BU of 4xix by Molmil
Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with phosphate.
分子名称: Carbonic anhydrase, alpha type, DIHYDROGENPHOSPHATE ION, ...
著者Hainzl, T, Grundstrom, C, Benlloch, R, Shevela, D, Shutova, T, Messinger, J, Samuelsson, G, Sauer-Eriksson, A.E.
登録日2015-01-08
公開日2015-02-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii.
Plant Physiol., 167, 2015
4XLS
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BU of 4xls by Molmil
Crystal structure of T. aquaticus transcription initiation complex with CarD containing upstream fork promoter.
分子名称: CarD-like transcriptional regulator, DNA (30-MER), DNA (5'-D(P*GP*CP*AP*CP*AP*AP*TP*TP*TP*AP*AP*CP*AP*CP*TP*TP*TP*TP*GP*TP*CP*AP*AP*G)-3'), ...
著者Bae, B, Darst, S.A.
登録日2015-01-13
公開日2015-09-23
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
1EH2
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BU of 1eh2 by Molmil
STRUCTURE OF THE SECOND EPS15 HOMOLOGY DOMAIN OF HUMAN EPS15, NMR, 20 STRUCTURES
分子名称: CALCIUM ION, EPS15
著者De Beer, T, Carter, R.E, Lobel-Rice, K.E, Sorkin, A, Overduin, M.
登録日1998-07-10
公開日1999-07-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and Asn-Pro-Phe binding pocket of the Eps15 homology domain.
Science, 281, 1998
4XIW
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Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, alpha type, ...
著者Hainzl, T, Grundstrom, C, Benlloch, R, Shevela, D, Shutova, T, Messinger, J, Samuelsson, G, Sauer-Eriksson, A.E.
登録日2015-01-07
公開日2015-02-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii.
Plant Physiol., 167, 2015
1EXH
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SOLUTION STRUCTURE OF A CELLULOSE BINDING DOMAIN FROM CELLULOMONAS FIMI BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
分子名称: EXO-1,4-BETA-D-GLYCANASE
著者Xu, G.-Y, Ong, E, Gilkes, N.R, Kilburn, D.G, Muhandiram, D.R, Harris-Brandts, M, Carver, J.P, Kay, L.E, Harvey, T.S.
登録日1995-03-14
公開日1995-06-03
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structure of a cellulose-binding domain from Cellulomonas fimi by nuclear magnetic resonance spectroscopy.
Biochemistry, 34, 1995
6OCT
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BU of 6oct by Molmil
Crystal structure of human KCTD16 T1 domain
分子名称: BTB/POZ domain-containing protein KCTD16
著者Zuo, H, Glaaser, I, Zhao, Y, Kurinov, I, Mosyak, L, Wang, H, Liu, J, Park, J, Frangaj, A, Sturchler, E, Zhou, M, McDonald, P, Geng, Y, Slesinger, P.A, Fan, Q.R.
登録日2019-03-25
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for auxiliary subunit KCTD16 regulation of the GABABreceptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
7N74
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Cryo-EM structure of ATP13A2 D508N mutant in the E1-ATP-like state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL HEMISUCCINATE, Isoform 3 of Polyamine-transporting ATPase 13A2, ...
著者Sim, S.I, Park, E.
登録日2021-06-09
公開日2021-11-10
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of polyamine transport by human ATP13A2 (PARK9).
Mol.Cell, 81, 2021

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