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6NZP
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BU of 6nzp by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-11 AKA 6-CYCLOPROPANEAMIDO-4-{[2-METHOXY-3-(1-METHYL-1H-1,2,4-TRI AZOL-3-YL)PHENYL]AMINO}-N-(?H?)METHYLPYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, CHLORIDE ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZQ
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BU of 6nzq by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_29 AKA 6-[(5-FLUORO-4-METH YLPYRIDIN-2-YL)AMINO]-4-({2-METHOXY-3-[(PYRIDIN-2-YLMETHYL )CARBAMOYL]PHENYL}AMINO)-N-METHYLPYRIDINE-3-CARBOXAMIDE
Descriptor: 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZH
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BU of 6nzh by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_40 AKA 6-cyclopropaneamido-4-[(2-methanesulfonylphenyl)amino]-N-methylpyridine-3-carboxamide
Descriptor: 6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Muckelbauer, J.M.
Deposit date:2019-02-13
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
8X91
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BU of 8x91 by Molmil
P/Q type calcium channel in complex with omega-conotoxin MVIIC
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 34, 2024
8X90
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BU of 8x90 by Molmil
P/Q type calcium channel
Descriptor: 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 34, 2024
8X93
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BU of 8x93 by Molmil
P/Q type calcium channel in complex with omega-Agatoxin IVA
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 34, 2024
4DAC
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BU of 4dac by Molmil
Crystal Structure of Computationally Designed Protein P6d
Descriptor: Computationally designed crystal forming protein P6d
Authors:Lanci, C.J, MacDermaid, C.M, Saven, J.G.
Deposit date:2012-01-12
Release date:2012-05-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Computational design of a protein crystal.
Proc.Natl.Acad.Sci.USA, 109, 2012
7BVC
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BU of 7bvc by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
Descriptor: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
Authors:Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BR3
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BU of 7br3 by Molmil
Crystal structure of the protein 1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ...
Authors:Cheng, L, Shao, Z.
Deposit date:2020-03-26
Release date:2020-10-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nat Commun, 11, 2020
7BVE
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BU of 7bve by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol
Descriptor: CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ...
Authors:Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVF
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BU of 7bvf by Molmil
Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
Descriptor: CALCIUM ION, CARDIOLIPIN, Ethambutol, ...
Authors:Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BX8
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BU of 7bx8 by Molmil
Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in symmetric "resting state"
Descriptor: Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein
Authors:Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H.
Deposit date:2020-04-17
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020
6IZG
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BU of 6izg by Molmil
Solution structure of Ufm1 protein from Trypanosoma brucei
Descriptor: Ubiquitin-fold modifier 1
Authors:Diwu, Y, Tu, X.
Deposit date:2018-12-19
Release date:2020-01-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of TbUfm1 from Trypanosoma brucei and its binding to TbUba5.
J.Struct.Biol., 212, 2020
8JWY
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BU of 8jwy by Molmil
Crystal structure of A2AR-T4L in complex with 2-118
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
8JWZ
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BU of 8jwz by Molmil
Crystal structure of A2AR-T4L in complex with AB928
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
6IJA
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BU of 6ija by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with UDP-L-rhamnose
Descriptor: UDP-glycosyltransferase 89C1, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Authors:Zong, G, Wang, X.
Deposit date:2018-10-09
Release date:2019-09-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.214 Å)
Cite:Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
4NP4
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BU of 4np4 by Molmil
Clostridium difficile toxin B CROP domain in complex with FAB domains of neutralizing antibody bezlotoxumab
Descriptor: Toxin B, bezlotoxumab heavy chain, bezlotoxumab light chain
Authors:Orth, P, Xiao, L, Hernandez, L.D, Reichert, P, Sheth, P, Beaumont, M, Murgolo, N, Ermakov, G, DiNunzio, E, Racine, F, Karczewski, J, Secore, S, Ingram, R.N, Mayhood, T, Strickland, C, Therien, A.G.
Deposit date:2013-11-20
Release date:2014-05-21
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Mechanism of Action and Epitopes of Clostridium difficile Toxin B-neutralizing Antibody Bezlotoxumab Revealed by X-ray Crystallography.
J.Biol.Chem., 289, 2014
4NJC
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BU of 4njc by Molmil
RNA Polymerase interacting protein YkzG from Geobacillus stearothermophilus
Descriptor: Geobacillus stearothermophilus YkzG
Authors:Keller, A.N, Lewis, P.J.
Deposit date:2013-11-09
Release date:2014-08-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:epsilon, a New Subunit of RNA Polymerase Found in Gram-Positive Bacteria
J.Bacteriol., 196, 2014
7BVH
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BU of 7bvh by Molmil
Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose
Descriptor: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ...
Authors:Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
6IJD
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BU of 6ijd by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, UDP-glycosyltransferase 89C1
Authors:Zong, G, Wang, X.
Deposit date:2018-10-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.206 Å)
Cite:Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
8IF8
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BU of 8if8 by Molmil
Arabinosyltransferase AftA
Descriptor: CALCIUM ION, Galactan 5-O-arabinofuranosyltransferase
Authors:Gong, Y.C, Rao, Z.H, Zhang, L.
Deposit date:2023-02-17
Release date:2023-05-31
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the priming arabinosyltransferase AftA required for AG biosynthesis of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 120, 2023
3I6D
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BU of 3i6d by Molmil
Crystal structure of PPO from bacillus subtilis with AF
Descriptor: 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ...
Authors:Shen, Y.
Deposit date:2009-07-06
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insight into unique properties of protoporphyrinogen oxidase from Bacillus subtilis
J.Struct.Biol., 170, 2010
7D6X
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BU of 7d6x by Molmil
Mycobacterium smegmatis Sdh1 complex in the apo form
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z.
Deposit date:2020-10-02
Release date:2021-04-07
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster.
Proc.Natl.Acad.Sci.USA, 118, 2021
7D6V
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BU of 7d6v by Molmil
Mycobacterium smegmatis Sdh1 in complex with UQ1
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z.
Deposit date:2020-10-02
Release date:2021-04-07
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster.
Proc.Natl.Acad.Sci.USA, 118, 2021
6IJ7
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BU of 6ij7 by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Rhamnosyltransferase protein
Authors:Zong, G, Wang, X.
Deposit date:2018-10-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019

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