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5CB2
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BU of 5cb2 by Molmil
the structure of candida albicans Sey1p in complex with GMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein SEY1
Authors:Yan, L, Sun, S, Wang, W, Shi, J, Hu, X, Wang, S, Rao, Z, Hu, J, Lou, Z.
Deposit date:2015-06-30
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015
4MQS
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BU of 4mqs by Molmil
Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo
Descriptor: 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, Nanobody 9-8
Authors:Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K.
Deposit date:2013-09-16
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
4MQT
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BU of 4mqt by Molmil
Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator LY2119620
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, ...
Authors:Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K.
Deposit date:2013-09-16
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
8UC2
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BU of 8uc2 by Molmil
Ethylene forming enzyme (EFE) R171A variant in complex with nickel and Benzoic acid
Descriptor: 1,2-ETHANEDIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, BENZOIC ACID, ...
Authors:Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.
Deposit date:2023-09-25
Release date:2023-10-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme.
Biochemistry, 63, 2024
8EXS
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BU of 8exs by Molmil
Cryo-EM structure of S. aureus BlaR1 F284A mutant
Descriptor: Beta-lactam sensor/signal transducer BlaR1, ZINC ION
Authors:Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2022-10-25
Release date:2023-01-11
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
8EXT
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BU of 8ext by Molmil
Cryo-EM structure of S. aureus BlaR1 F284A mutant in complex with ampicillin
Descriptor: Beta-lactam sensor/signal transducer BlaR1, ZINC ION
Authors:Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2022-10-25
Release date:2023-01-11
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
8CZJ
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BU of 8czj by Molmil
A bacteria Zrt/Irt-like protein in the apo state
Descriptor: Putative membrane protein, SULFATE ION, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Zhang, Y, Hu, J.
Deposit date:2022-05-24
Release date:2023-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Structural insights into the elevator-type transport mechanism of a bacterial ZIP metal transporter.
Nat Commun, 14, 2023
6PGI
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BU of 6pgi by Molmil
Asymmetric functions of a binuclear metal cluster within the transport pathway of the ZIP transition metal transporters
Descriptor: BbZIP, CADMIUM ION
Authors:Zhang, T, Sui, D, Zhang, C, Logan, T, Hu, J.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Asymmetric functions of a binuclear metal center within the transport pathway of a human zinc transporter ZIP4.
Faseb J., 34, 2020
5C7M
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BU of 5c7m by Molmil
CRYSTAL STRUCTURE OF E3 LIGASE ITCH WITH A UB VARIANT
Descriptor: E3 ubiquitin-protein ligase Itchy homolog, Polyubiquitin-C
Authors:Walker, J.R, Hu, J, Dong, A, Wernimont, A, Zhang, W, Sidhu, S, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2015-06-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
4DAJ
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BU of 4daj by Molmil
Structure of the M3 Muscarinic Acetylcholine Receptor
Descriptor: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ...
Authors:Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B.
Deposit date:2012-01-12
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and dynamics of the M3 muscarinic acetylcholine receptor.
Nature, 482, 2012
5C7J
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BU of 5c7j by Molmil
CRYSTAL STRUCTURE OF NEDD4 WITH A UB VARIANT
Descriptor: E3 ubiquitin-protein ligase NEDD4, Polyubiquitin-C
Authors:Walker, J.R, Hu, J, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2015-06-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
7MJ1
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BU of 7mj1 by Molmil
LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with NAD
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P.
Deposit date:2021-04-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.402 Å)
Cite:The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
7MJ0
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BU of 7mj0 by Molmil
LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with adenosine monophosphate AMP
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase
Authors:Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P.
Deposit date:2021-04-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
7MJ2
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BU of 7mj2 by Molmil
LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zn
Descriptor: MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION
Authors:Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P.
Deposit date:2021-04-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
7S91
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BU of 7s91 by Molmil
Structure of the malate racemase mar2 apoprotein from Thermoanaerobacterium thermosaccharolyticum at 2.25 angstroms resolution
Descriptor: CHLORIDE ION, Malate racemase Mar2
Authors:Gatreddi, S, Hausinger, R.P, Hu, J.
Deposit date:2021-09-20
Release date:2021-10-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and mutational characterization of a malate racemase from the LarA superfamily.
Biometals, 36, 2023
8EZF
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BU of 8ezf by Molmil
A tethered niacin-derived pincer complex with a nickel-carbon or sulfite-carbon bond in lactate racemase R98A/R100A variant
Descriptor: (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Gatreddi, S, Hausinger, R.P, Hu, J.
Deposit date:2022-10-31
Release date:2023-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
8EZI
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BU of 8ezi by Molmil
A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with separated sulfite and NPN
Descriptor: 1,2-ETHANEDIOL, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, CALCIUM ION, ...
Authors:Gatreddi, S, Hausinger, R.P, Hu, J.
Deposit date:2022-10-31
Release date:2023-01-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
8EZH
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BU of 8ezh by Molmil
A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with sulfite-NPN adduct
Descriptor: (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Gatreddi, S, Hausinger, R.P, Hu, J.
Deposit date:2022-10-31
Release date:2023-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
6V0A
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BU of 6v0a by Molmil
Crystal structure of cytochrome c nitrite reductase from the bacterium Geobacter lovleyi with bound sulfate
Descriptor: HEME C, Nitrite reductase (cytochrome; ammonia-forming), SULFATE ION
Authors:Satyanarayana, L, Campecino, J, Hegg, L.H, Hu, J.
Deposit date:2019-11-18
Release date:2020-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Cytochromecnitrite reductase from the bacteriumGeobacter lovleyirepresents a new NrfA subclass.
J.Biol.Chem., 295, 2020
1XZ0
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BU of 1xz0 by Molmil
Crystal structure of CD1a in complex with a synthetic mycobactin lipopeptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(HYDROXY-HEXADECANOYL-AMINO)-2-{[(4S)-2-(2-HYDROXY-PHENYL)-4,5-DIHYDRO-OXAZOLE-4-CARBONYL]-AMINO}-HEXANOIC ACID 2-[(3S)-1-(TERT-BUTYL-DIPHENYL-SILANYLOXY)-2-OXO-AZEPAN-3-YLCARBAMOYL]-(1S)-1-METHYL-ETHYL ESTER, Beta-2-microglobulin, ...
Authors:Zajonc, D.M, Crispin, M.D, Bowden, T.A, Young, D.C, Cheng, T.Y, Hu, J, Costello, C.E, Miller, M.J, Moody, D.B, Wilson, I.A.
Deposit date:2004-11-11
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular Mechanism of Lipopeptide Presentation by CD1a.
Immunity, 22, 2005
6XJH
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BU of 6xjh by Molmil
PmtCD ABC exporter without the basket domain at C2 symmetry
Descriptor: ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Zeytuni, N, Strynadka, N.J.C, Hu, J, Worrall, L.J, Chou, H, Yu, Z.
Deposit date:2020-06-23
Release date:2020-10-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins
Sci Adv, 6, 2020
6XJI
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BU of 6xji by Molmil
PmtCD ABC exporter at C1 symmetry
Descriptor: ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Zeytuni, N, Strynadka, N.J.C, Hu, J, Worrall, L.J, Chou, H, Yu, Z.
Deposit date:2020-06-23
Release date:2020-10-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins
Sci Adv, 6, 2020
8STD
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BU of 8std by Molmil
S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD and soaked with CS2
Descriptor: MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase
Authors:Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P.
Deposit date:2023-05-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis.
Biochemistry, 62, 2023
8SOQ
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BU of 8soq by Molmil
S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD
Descriptor: MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase
Authors:Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P.
Deposit date:2023-04-29
Release date:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis.
Biochemistry, 62, 2023
5GNS
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BU of 5gns by Molmil
Structures of human Mitofusin 1 provide insight into mitochondrial tethering
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Mitofusin-1
Authors:Qi, Y, Yan, L, Yu, C, Guo, X, Zhou, X, Hu, X, Huang, X, Rao, Z, Lou, Z, Hu, J.
Deposit date:2016-07-24
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Structures of human Mitofusin 1 provide insight into mitochondrial tethering
To Be Published

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