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7W5O
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BU of 7w5o by Molmil
Crystal structure of ERK2 with an allosteric inhibitor
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Yoshida, M, Kinoshita, T.
登録日2021-11-30
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of a novel target site for ATP-independent ERK2 inhibitors.
Biochem.Biophys.Res.Commun., 593, 2022
6F1H
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BU of 6f1h by Molmil
C1rC1s complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-galactopyranose-(1-4)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R.
登録日2017-11-22
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structure of the C1r-C1s interaction of the C1 complex of complement activation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6F4V
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BU of 6f4v by Molmil
Crystal structure of cleaved Kallistatin complexed with heparin at 1.8 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, CHLORIDE ION, ...
著者Zhou, A, Wei, Z.
登録日2017-11-30
公開日2018-12-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human Kallistatin
To Be Published
7KYL
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BU of 7kyl by Molmil
Powassan virus Envelope protein DIII in complex with neutralizing Fab POWV-80
分子名称: CHLORIDE ION, Envelope protein domain III, POWV-80 Fab heavy chain, ...
著者Errico, J.M, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Broadly neutralizing monoclonal antibodies protect against multiple tick-borne flaviviruses.
J.Exp.Med., 218, 2021
7KNG
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BU of 7kng by Molmil
2.10A resolution structure of independent Phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Ce-2 Y7F)
分子名称: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, DTY-ASP-TYR-PRO-GLY-ASP-PHE-CYS-TYR-LEU-TYR-GLY-THR-CYS, ...
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Weidmann, M, Dranchak, P, Aitha, M, Queme, B, Collmus, C.D, Kanter, L, Lamy, L, Tao, D, Rai, G, Suga, H, Inglese, J.
登録日2020-11-04
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases.
J.Biol.Chem., 296, 2021
7W45
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BU of 7w45 by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP
分子名称: CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-26
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
4MMB
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BU of 4mmb by Molmil
Crystal structure of LeuBAT (delta6 mutant) in complex with sertraline
分子名称: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, SODIUM ION, Transporter, ...
著者Wang, H, Gouaux, E.
登録日2013-09-08
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
4MTG
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BU of 4mtg by Molmil
Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein
著者Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
登録日2013-09-19
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.296 Å)
主引用文献Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
7KKR
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BU of 7kkr by Molmil
Fluoride channel Fluc-Ec2 wild-type with bromide
分子名称: BROMIDE ION, DECYL-BETA-D-MALTOPYRANOSIDE, Putative fluoride ion transporter CrcB, ...
著者McIlwain, B.C, Stockbridge, R.B.
登録日2020-10-28
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献The fluoride permeation pathway and anion recognition in Fluc family fluoride channels.
Elife, 10, 2021
7KKA
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BU of 7kka by Molmil
Fluoride channel Fluc-Ec2 mutant S81A with bromide
分子名称: BROMIDE ION, DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, ...
著者McIlwain, B.C, Stockbridge, R.B.
登録日2020-10-27
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The fluoride permeation pathway and anion recognition in Fluc family fluoride channels.
Elife, 10, 2021
7KK8
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BU of 7kk8 by Molmil
Fluoride channel Fluc-Ec2 mutant S81T with bromide
分子名称: BROMIDE ION, DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, ...
著者McIlwain, B.C, Stockbridge, R.B.
登録日2020-10-27
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The fluoride permeation pathway and anion recognition in Fluc family fluoride channels.
Elife, 10, 2021
7KKB
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BU of 7kkb by Molmil
Fluoride channel Fluc-Ec2 mutant S81C with bromide
分子名称: BROMIDE ION, DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, ...
著者McIlwain, B.C, Stockbridge, R.B.
登録日2020-10-27
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The fluoride permeation pathway and anion recognition in Fluc family fluoride channels.
Elife, 10, 2021
7KK9
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BU of 7kk9 by Molmil
Fluoride channel Fluc-Ec2 mutant S81A/T82A with bromide
分子名称: BROMIDE ION, DECYL-BETA-D-MALTOPYRANOSIDE, Putative fluoride ion transporter CrcB, ...
著者McIlwain, B.C, Stockbridge, R.B.
登録日2020-10-27
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The fluoride permeation pathway and anion recognition in Fluc family fluoride channels.
Elife, 10, 2021
4MVM
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BU of 4mvm by Molmil
Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein
著者Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
登録日2013-09-24
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1997 Å)
主引用文献Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
4MYE
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BU of 4mye by Molmil
Cymosema roseum seed lectin structure complexed with X-man
分子名称: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Cymbosema roseum mannose-specific lectin, ...
著者Barroso-Neto, I.L, Rocha, B.A.M, Teixeira, C.S, Santiago, M.Q, Souza, L.A.G, Pires, A.F, Assreuy, A.M.S, Delatorre, P, Cavada, B.S.
登録日2013-09-27
公開日2014-10-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Cymosema roseum seed lectin structure complexed with X-man
To be Published
6F1C
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BU of 6f1c by Molmil
C1rC1s complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ...
著者Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R.
登録日2017-11-21
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Structure of the C1r-C1s interaction of the C1 complex of complement activation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7L4L
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BU of 7l4l by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, SODIUM ION, ...
著者Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P.
登録日2020-12-19
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases
Acs Catalysis, 11, 2021
7L2H
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BU of 7l2h by Molmil
Cryo-EM structure of unliganded full-length TRPV1 at neutral pH
分子名称: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2U
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BU of 7l2u by Molmil
cryo-EM structure of DkTx-bound minimal TRPV1 in open state
分子名称: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2W
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BU of 7l2w by Molmil
cryo-EM structure of RTX-bound minimal TRPV1 with NMDG at state a
分子名称: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2R
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BU of 7l2r by Molmil
Cryo-EM structure of DkTx-bound minimal TRPV1 at the pre-open state
分子名称: (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, (9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2S
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BU of 7l2s by Molmil
cryo-EM structure of DkTx-bound minimal TRPV1 at the pre-bound state
分子名称: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2P
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BU of 7l2p by Molmil
cryo-EM structure of unliganded minimal TRPV1
分子名称: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2M
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BU of 7l2m by Molmil
Cryo-EM structure of DkTx/RTX-bound full-length TRPV1
分子名称: SODIUM ION, Tau-theraphotoxin-Hs1a, Transient receptor potential cation channel subfamily V member 1, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2V
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BU of 7l2v by Molmil
cryo-EM structure of RTX-bound minimal TRPV1 with NMDG at state b
分子名称: 6-deoxy-6-(methylamino)-D-galactitol, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021

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