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6BSW
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BU of 6bsw by Molmil
Crystal structure of Xyloglucan Xylosyltransferase 1 ternary form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MANGANESE (II) ION, ...
Authors:Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B, Zabotina, O.A.
Deposit date:2017-12-04
Release date:2018-05-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.156 Å)
Cite:Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4Q7V
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BU of 4q7v by Molmil
Crystal structure of 1-hydroxy-5-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
Descriptor: 1-hydroxy-5-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2014-04-25
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q83
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BU of 4q83 by Molmil
Crystal structure of 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
Descriptor: 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2014-04-25
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q8X
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BU of 4q8x by Molmil
Crystal structure of 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
Descriptor: 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2014-04-28
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
7XAZ
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BU of 7xaz by Molmil
Crystal structure of Omicron BA.1.1 RBD complexed with hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Liao, H, Meng, Y, Li, W.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
5XXH
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BU of 5xxh by Molmil
Crystal Structure Analysis of the CBP
Descriptor: (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ...
Authors:Xiang, Q, Zhang, Y, Wang, C, Song, M.
Deposit date:2017-07-04
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer.
Eur J Med Chem, 147, 2018
7UGN
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BU of 7ugn by Molmil
Cryo-EM structure of BG24 inferred germline Fabs with germline CDR3s and 10-1074 Fabs in complex with HIV-1 Env immunogen BG505-SOSIPv4.1-GT1 - Class 1
Descriptor: 10-1074 Fab heavy chain, 10-1074 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dam, K.A, Bjorkman, P.J.
Deposit date:2022-03-25
Release date:2022-10-26
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:HIV-1 CD4-binding site germline antibody-Env structures inform vaccine design.
Nat Commun, 13, 2022
3BCW
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BU of 3bcw by Molmil
Crystal structure of a duf861 family protein with a rmlc-like cupin fold (bb1179) from bordetella bronchiseptica rb50 at 1.60 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-11-13
Release date:2007-11-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of domain of unknown function with a RmlC-like cupin fold (NP_887725.1) from Bordetella bronchiseptica at 1.60 A resolution
To be published
7ZMH
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BU of 7zmh by Molmil
CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (state 1) - membrane arm
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Laube, E, Kuehlbrandt, W.
Deposit date:2022-04-19
Release date:2022-11-30
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Sci Adv, 8, 2022
4C25
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BU of 4c25 by Molmil
L-fuculose 1-phosphate aldolase
Descriptor: 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, GLYCEROL, ...
Authors:Higgins, M.A, Suits, M.D.L, Marsters, C, Boraston, A.B.
Deposit date:2013-08-16
Release date:2013-12-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural and Functional Analysis of Fucose-Processing Enzymes from Streptococcus Pneumoniae.
J.Mol.Biol., 426, 2014
7ZMG
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BU of 7zmg by Molmil
CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (state 1)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Laube, E, Kuehlbrandt, W.
Deposit date:2022-04-19
Release date:2022-11-30
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Sci Adv, 8, 2022
4KAE
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BU of 4kae by Molmil
Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, TARGET EFI-507175, with bound dicarboxyethyl glutathione and citrate in the active site
Descriptor: CITRIC ACID, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, GLYCEROL, ...
Authors:Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-04-22
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, TARGET EFI-507175, with bound dicarboxyethyl glutathione and citrate in the active site
To be Published
6N4B
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BU of 6n4b by Molmil
Cannabinoid Receptor 1-G Protein Complex
Descriptor: CHOLESTEROL, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Krishna Kumar, K, Shalev-Benami, M, Hu, H, Weis, W.I, Kobilka, B.K, Skiniotis, G.
Deposit date:2018-11-18
Release date:2019-01-30
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of a Signaling Cannabinoid Receptor 1-G Protein Complex.
Cell, 176, 2019
1LBF
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BU of 1lbf by Molmil
CRYSTAL STRUCTURE OF INDOLE-3-GLYCEROL PHOSPHATE SYNTASE (IGPS)WITH REDUCED 1-(O-CABOXYPHENYLAMINO)-1-DEOXYRIBULOSE 5-PHOSPHATE (RCDRP)
Descriptor: 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE
Authors:Hennig, M, Darimont, B, Kirschner, K, Jansonius, J.N.
Deposit date:2002-04-03
Release date:2002-06-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The catalytic mechanism of indole-3-glycerol phosphate synthase: crystal structures of complexes of the enzyme from Sulfolobus solfataricus with substrate analogue, substrate, and product.
J.Mol.Biol., 319, 2002
3LWJ
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BU of 3lwj by Molmil
Crystal structure of Putative TetR-family transcriptional regulator (YP_752756.1) from Syntrophomonas wolfei str. Goettingen at 2.07 A resolution
Descriptor: 1,2-ETHANEDIOL, Putative TetR-family transcriptional regulator
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-02-23
Release date:2010-03-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of Putative TetR-family transcriptional regulator (YP_752756.1) from Syntrophomonas wolfei str. Goettingen at 2.07 A resolution
To be published
6V8Z
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BU of 6v8z by Molmil
VRC03 and 10-1074 Bound BG505 F14 HIV-1 SOSIP Envelope Trimer Structure
Descriptor: 10-1074 Fab Heavy Chain, 10-1074 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Henderson, R, Acharya, P.
Deposit date:2019-12-12
Release date:2020-02-05
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Disruption of the HIV-1 Envelope allosteric network blocks CD4-induced rearrangements.
Nat Commun, 11, 2020
4K8K
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BU of 4k8k by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 1-(4-methoxyphenyl)-1-cyclopropane and 2-aminoperimidine
Descriptor: 1-(4-methoxyphenyl)cyclopropanecarboxylic acid, 1H-perimidin-2-amine, ADENOSINE, ...
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-04-18
Release date:2013-05-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 1-(4-methoxyphenyl)-1-cyclopropane and 2-aminoperimidine
To be Published
7Y5X
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BU of 7y5x by Molmil
CryoEM structure of PS2-containing gamma-secretase treated with MRK-560
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2022-06-17
Release date:2022-11-02
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
7Y5Z
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BU of 7y5z by Molmil
CryoEM structure of human PS2-containing gamma-secretase
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
5Z5D
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BU of 5z5d by Molmil
Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08
Descriptor: Beta-xylosidase, CALCIUM ION, GLYCEROL
Authors:Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W.
Deposit date:2018-01-17
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08.
PLoS ONE, 13, 2018
7JM9
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BU of 7jm9 by Molmil
Sheep Connexin-50 at 2.5 angstroms reoslution, Lipid Class 2
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein
Authors:Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.A, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
Deposit date:2020-07-31
Release date:2020-09-09
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
7JN0
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BU of 7jn0 by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 2
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
Authors:Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.A, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
Deposit date:2020-08-03
Release date:2020-09-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
4JM1
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BU of 4jm1 by Molmil
Crystal structure of a protein with alpha-lytic protease prodomain-like fold (BDI_0842) from Parabacteroides distasonis ATCC 8503 at 1.40 A resolution
Descriptor: 1,2-ETHANEDIOL, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-03-13
Release date:2013-04-03
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a hypothetical protein (BDI_0842) from Parabacteroides distasonis ATCC 8503 at 1.40 A resolution
To be published
7JMC
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BU of 7jmc by Molmil
Sheep Connexin-50 at 2.5 angstroms resolution, Lipid Class 3
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein
Authors:Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
Deposit date:2020-07-31
Release date:2020-09-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
4I06
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BU of 4i06 by Molmil
Crystal structure of human Arginase-2 complexed with inhibitor 14
Descriptor: Arginase-2, mitochondrial, BENZAMIDINE, ...
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A.
Deposit date:2012-11-16
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013

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