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5WVM
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BU of 5wvm by Molmil
Crystal structure of baeS cocrystallized with 2 mM indole
Descriptor: Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION
Authors:Wang, W, Zhang, Y, Rang, T, Xu, D.
Deposit date:2016-12-26
Release date:2018-01-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017
5WVN
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BU of 5wvn by Molmil
Crystal structure of MBS-BaeS fusion protein
Descriptor: Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION
Authors:Wang, W, Zhang, Y, Ran, T, Xu, D.
Deposit date:2016-12-26
Release date:2018-01-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017
8VQ4
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BU of 8vq4 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-125A.
Descriptor: (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
8VQ3
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BU of 8vq3 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-198.
Descriptor: (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
7EU8
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BU of 7eu8 by Molmil
Structure of the human GluN1-GluN2B NMDA receptor in complex with S-ketamine,glycine and glutamate
Descriptor: (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Zhang, T, Zhang, Y, Zhu, S.
Deposit date:2021-05-16
Release date:2021-07-28
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural basis of ketamine action on human NMDA receptors.
Nature, 596, 2021
5WAN
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BU of 5wan by Molmil
Crystal Structure of a flavoenzyme RutA in the pyrimidine catabolic pathway
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, Pyrimidine monooxygenase RutA, ...
Authors:Zhang, Y, Mukherjee, T, Abdelwahed, S, Begley, T.P, Ealick, S.E.
Deposit date:2017-06-26
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Catalysis of a flavoenzyme-mediated amide hydrolysis.
J. Am. Chem. Soc., 132, 2010
5X21
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BU of 5x21 by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex with GpA and pseudouridimycin (PUM)
Descriptor: (1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zhang, Y, Ebright, R.
Deposit date:2017-01-29
Release date:2017-07-05
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (3.323 Å)
Cite:Antibacterial Nucleoside-Analog Inhibitor of Bacterial RNA Polymerase.
Cell, 169, 2017
5X22
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BU of 5x22 by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex with GpA and CMPcPP
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zhang, Y, Ebright, R.
Deposit date:2017-01-29
Release date:2017-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Antibacterial Nucleoside-Analog Inhibitor of Bacterial RNA Polymerase.
Cell, 169, 2017
4K7F
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BU of 4k7f by Molmil
Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201
Descriptor: Beta-2-microglobulin, Core protein, HLA class I histocompatibility antigen, ...
Authors:Meng, S.D, Zhang, Y, Wu, Y, Qi, J.X.
Deposit date:2013-04-17
Release date:2013-06-05
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:The L60V variation in hepatitis B virus core protein elicits new epitope-specific cytotoxic T lymphocytes and enhances viral replication.
J.Virol., 87, 2013
7D6F
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BU of 7d6f by Molmil
The crystal structure of ARMS-PBM/MAGI2-PDZ4
Descriptor: GLYCEROL, Kinase D-interacting substrate of 220 kDa, Membrane-associated guanylate kinase, ...
Authors:Ye, J, Zhang, Y, Zhong, Z, Wang, C.
Deposit date:2020-09-30
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Crystal structure of the PDZ4 domain of MAGI2 in complex with PBM of ARMS reveals a canonical PDZ recognition mode.
Neurochem.Int., 149, 2021
4LA3
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BU of 4la3 by Molmil
Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ Y131A in complex with DMSP
Descriptor: 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION
Authors:Zhang, Y, Li, C.
Deposit date:2013-06-19
Release date:2014-01-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Proc.Natl.Acad.Sci.USA, 111, 2014
4LA2
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BU of 4la2 by Molmil
Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION
Authors:Zhang, Y, Li, C.
Deposit date:2013-06-19
Release date:2014-01-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Proc.Natl.Acad.Sci.USA, 111, 2014
7VMY
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BU of 7vmy by Molmil
Crystal structure of LimF prenyltransferase bound with GSPP
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GERANYL S-THIOLODIPHOSPHATE, LynF/TruF/PatF family peptide O-prenyltransferase, ...
Authors:Hamada, K, Kobayashi, S, Okada, C, Zhang, Y, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2021-10-09
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:LimF is a versatile prenyltransferase for histidine-C-geranylation on diverse non-natural substrates
Nat Catal, 2022
7VMW
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BU of 7vmw by Molmil
Crystal structure of LimF prenyltransferase bound with a peptide substrate and GSPP
Descriptor: GERANYL S-THIOLODIPHOSPHATE, LynF/TruF/PatF family peptide O-prenyltransferase, MAGNESIUM ION, ...
Authors:Hamada, K, Kobayashi, S, Okada, C, Zhang, Y, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2021-10-09
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:LimF is a versatile prenyltransferase for histidine-C-geranylation on diverse non-natural substrates
Nat Catal, 2022
4MQ9
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BU of 4mq9 by Molmil
Crystal structure of Thermus thermophilus RNA polymerase holoenzyme in complex with GE23077
Descriptor: (2Z)-2-methylbut-2-enoic acid, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Ho, M.X, Arnold, E, Ebright, R.H, Zhang, Y, Tuske, S.
Deposit date:2013-09-16
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
7RH9
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BU of 7rh9 by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in apo state
Descriptor: Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-16
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
4URT
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BU of 4urt by Molmil
The crystal structure of a fragment of netrin-1 in complex with FN5- FN6 of DCC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Finci, L.I, Krueger, N, Sun, X, Zhang, J, Chegkazi, M, Wu, Y, Schenk, G, Mertens, H.D.T, Svergun, D.I, Zhang, Y, Wang, J.-h, Meijers, R.
Deposit date:2014-07-02
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Crystal Structure of Netrin-1 in Complex with Dcc Reveals the Bi-Functionality of Netrin-1 as a Guidance Cue
Neuron, 83, 2014
7RHH
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BU of 7rhh by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in cGMP-bound openI state
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHG
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BU of 7rhg by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in cAMP-bound state
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHJ
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BU of 7rhj by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-blocked open state
Descriptor: (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ...
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHL
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BU of 7rhl by Molmil
Cryo-EM structure of human rod Apo CNGA1/B1 channel with CLZ coiled coil
Descriptor: Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHI
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BU of 7rhi by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in cGMP-bound openII state
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHK
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BU of 7rhk by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-trapped closed state
Descriptor: (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ...
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
4OHR
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BU of 4ohr by Molmil
Crystal structure of MilB from Streptomyces rimofaciens
Descriptor: CMP/hydroxymethyl CMP hydrolase
Authors:Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X.
Deposit date:2014-01-17
Release date:2014-06-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry
Nucleic Acids Res., 42, 2014
7XLZ
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BU of 7xlz by Molmil
Structure of siderophore-interacting protein from Vibrio anguillarum
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Siderophore-interacting protein
Authors:Ma, Q, Liu, C, Han, Y.
Deposit date:2022-04-23
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structure of siderophore-interacting protein from Vibrio anguillarum
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