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7WDD
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BU of 7wdd by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-12-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
7WDI
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BU of 7wdi by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-12-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
7WDE
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BU of 7wde by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-12-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
7PA2
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BU of 7pa2 by Molmil
PARK7 with inhibitor 8RK64
Descriptor: (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7
Authors:Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P.
Deposit date:2021-07-28
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
7PA3
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BU of 7pa3 by Molmil
PARK7 with covalent inhibitor JYQ-88
Descriptor: (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7
Authors:Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P.
Deposit date:2021-07-28
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
8IBV
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BU of 8ibv by Molmil
Cryo-EM structure of the motilin-bound motilin receptor-Gq protein complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha, ...
Authors:Jiang, Y, Xu, H.E, You, C, Xu, Y.
Deposit date:2023-02-10
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural basis for motilin and erythromycin recognition by motilin receptor.
Sci Adv, 9, 2023
6YT1
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BU of 6yt1 by Molmil
Mtb TMK crystal structure in complex with compound 26
Descriptor: 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide, CITRIC ACID, Thymidylate kinase
Authors:Merceron, R, De Munck, S, Jian, Y, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.N.
Deposit date:2020-04-23
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Endeavors towards transformation of M. tuberculosis thymidylate kinase (MtbTMPK) inhibitors into potential antimycobacterial agents.
Eur.J.Med.Chem., 206, 2020
3K0D
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BU of 3k0d by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, K+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein NaK
Authors:Jiang, Y, Derebe, M.G.
Deposit date:2009-09-24
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
3K08
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BU of 3k08 by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, Na+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION
Authors:Jiang, Y, Derebe, M.G.
Deposit date:2009-09-24
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
3K04
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BU of 3k04 by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-DTPP, Na+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION
Authors:Jiang, Y, Derebe, M.G.
Deposit date:2009-09-24
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
3K06
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BU of 3k06 by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, K+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein NaK
Authors:Jiang, Y, Derebe, M.G.
Deposit date:2009-09-24
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
3K0G
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BU of 3k0g by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Na+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION
Authors:Jiang, Y, Derebe, M.G.
Deposit date:2009-09-24
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
5BOB
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BU of 5bob by Molmil
Crystal Structure of the Meningitis Pathogen Streptococcus suis adhesion Fhb
Descriptor: GLYCEROL, Translation initiation factor 2 (IF-2 GTPase)
Authors:Jiang, Y, Zhang, C, Yu, Y.
Deposit date:2015-05-27
Release date:2015-11-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Expression, purification, crystallization and structure determination of the N terminal domain of Fhb, a factor H binding protein from Streptococcus suis.
Biochem.Biophys.Res.Commun., 466, 2015
3IA2
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BU of 3ia2 by Molmil
Pseudomonas fluorescens esterase complexed to the R-enantiomer of a sulfonate transition state analog
Descriptor: (2R)-butane-2-sulfonate, Arylesterase, GLYCEROL, ...
Authors:Schrag, J.D, Kazlauskas, R.J, Jiang, Y, Morley, K.
Deposit date:2009-07-13
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Different active-site loop orientation in serine hydrolases versus acyltransferases.
Chembiochem, 12, 2011
6O6J
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BU of 6o6j by Molmil
Crystal structure of the LjCASTOR gating ring in the Ca2+ and Na+ condition
Descriptor: CALCIUM ION, Ion channel CASTOR, MAGNESIUM ION, ...
Authors:Jiang, Y, Kim, S.
Deposit date:2019-03-06
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ca2+-regulated Ca2+channels with an RCK gating ring control plant symbiotic associations.
Nat Commun, 10, 2019
3K03
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BU of 3k03 by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-DTPP, K+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein NaK
Authors:Jiang, Y, Derebe, M.G.
Deposit date:2009-09-24
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Tuning the ion selectivity of tetrameric cation channels by changing the number of ion binding sites.
Proc.Natl.Acad.Sci.USA, 108, 2011
6O7C
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BU of 6o7c by Molmil
Crystal structure of the LjCASTOR gating ring in the Ca2+ and K+ state
Descriptor: CALCIUM ION, Ion channel CASTOR, MAGNESIUM ION, ...
Authors:Jiang, Y, Kim, S.
Deposit date:2019-03-07
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ca2+-regulated Ca2+channels with an RCK gating ring control plant symbiotic associations.
Nat Commun, 10, 2019
6O7A
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BU of 6o7a by Molmil
Crystal structure of the LjCASTOR gating ring in the Ca2+-free state
Descriptor: Ion channel CASTOR
Authors:Jiang, Y, Kim, S.
Deposit date:2019-03-07
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Ca2+-regulated Ca2+channels with an RCK gating ring control plant symbiotic associations.
Nat Commun, 10, 2019
4N6X
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BU of 4n6x by Molmil
Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1
Descriptor: CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1/Chemokine Receptor CXCR2 fusion protein
Authors:Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z.
Deposit date:2013-10-14
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.051 Å)
Cite:New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping.
Plos One, 8, 2013
3E86
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BU of 3e86 by Molmil
High resolution Crystal Structure of the open NaK channel pore
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CESIUM ION, ...
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution structure of the open NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3E8F
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BU of 3e8f by Molmil
Crystal Structure of the the open NaK channel- K+/Ba2+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, POTASSIUM ION, ...
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3E8B
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BU of 3e8b by Molmil
Crystal Structure of the the open NaK channel- Rb+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3E89
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BU of 3e89 by Molmil
Crystal Structure of the the open NaK channel-low Na+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CESIUM ION, Potassium channel protein, ...
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3E8G
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BU of 3e8g by Molmil
Crystal Structure of the the open NaK channel-Na+/Ca2+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CESIUM ION, ...
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3E8H
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BU of 3e8h by Molmil
Crystal Structure of the the open NaK channel-K+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009

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