7W5O
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![BU of 7w5o by Molmil](/molmil-images/mine/7w5o) | Crystal structure of ERK2 with an allosteric inhibitor | Descriptor: | (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, ... | Authors: | Yoshida, M, Kinoshita, T. | Deposit date: | 2021-11-30 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of a novel target site for ATP-independent ERK2 inhibitors. Biochem.Biophys.Res.Commun., 593, 2022
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6F1H
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![BU of 6f1h by Molmil](/molmil-images/mine/6f1h) | C1rC1s complex | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2017-11-22 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7KYL
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![BU of 7kyl by Molmil](/molmil-images/mine/7kyl) | Powassan virus Envelope protein DIII in complex with neutralizing Fab POWV-80 | Descriptor: | CHLORIDE ION, Envelope protein domain III, POWV-80 Fab heavy chain, ... | Authors: | Errico, J.M, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Broadly neutralizing monoclonal antibodies protect against multiple tick-borne flaviviruses. J.Exp.Med., 218, 2021
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6F4V
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![BU of 6f4v by Molmil](/molmil-images/mine/6f4v) | |
7KNG
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![BU of 7kng by Molmil](/molmil-images/mine/7kng) | 2.10A resolution structure of independent Phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Ce-2 Y7F) | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, DTY-ASP-TYR-PRO-GLY-ASP-PHE-CYS-TYR-LEU-TYR-GLY-THR-CYS, ... | Authors: | 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. | Deposit date: | 2020-11-04 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases. J.Biol.Chem., 296, 2021
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7W45
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![BU of 7w45 by Molmil](/molmil-images/mine/7w45) | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP | Descriptor: | CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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4MMB
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![BU of 4mmb by Molmil](/molmil-images/mine/4mmb) | Crystal structure of LeuBAT (delta6 mutant) in complex with sertraline | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, SODIUM ION, Transporter, ... | Authors: | Wang, H, Gouaux, E. | Deposit date: | 2013-09-08 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for action by diverse antidepressants on biogenic amine transporters. Nature, 503, 2013
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4MTG
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![BU of 4mtg by Molmil](/molmil-images/mine/4mtg) | Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein | Authors: | Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A. | Deposit date: | 2013-09-19 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.296 Å) | Cite: | Structural basis for Ca2+ selectivity of a voltage-gated calcium channel. Nature, 505, 2014
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7KKR
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![BU of 7kkr by Molmil](/molmil-images/mine/7kkr) | Fluoride channel Fluc-Ec2 wild-type with bromide | Descriptor: | BROMIDE ION, DECYL-BETA-D-MALTOPYRANOSIDE, Putative fluoride ion transporter CrcB, ... | Authors: | McIlwain, B.C, Stockbridge, R.B. | Deposit date: | 2020-10-28 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | The fluoride permeation pathway and anion recognition in Fluc family fluoride channels. Elife, 10, 2021
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7KKA
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![BU of 7kka by Molmil](/molmil-images/mine/7kka) | |
7KK8
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![BU of 7kk8 by Molmil](/molmil-images/mine/7kk8) | |
7KKB
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![BU of 7kkb by Molmil](/molmil-images/mine/7kkb) | |
7KK9
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![BU of 7kk9 by Molmil](/molmil-images/mine/7kk9) | |
4MVM
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![BU of 4mvm by Molmil](/molmil-images/mine/4mvm) | Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein | Authors: | Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A. | Deposit date: | 2013-09-24 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1997 Å) | Cite: | Structural basis for Ca2+ selectivity of a voltage-gated calcium channel. Nature, 505, 2014
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4MYE
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![BU of 4mye by Molmil](/molmil-images/mine/4mye) | Cymosema roseum seed lectin structure complexed with X-man | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Cymbosema roseum mannose-specific lectin, ... | Authors: | 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. | Deposit date: | 2013-09-27 | Release date: | 2014-10-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Cymosema roseum seed lectin structure complexed with X-man To be Published
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6F1C
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![BU of 6f1c by Molmil](/molmil-images/mine/6f1c) | C1rC1s complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ... | Authors: | 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. | Deposit date: | 2017-11-21 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7L4L
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![BU of 7l4l by Molmil](/molmil-images/mine/7l4l) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, SODIUM ION, ... | Authors: | Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P. | Deposit date: | 2020-12-19 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases Acs Catalysis, 11, 2021
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7L2H
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![BU of 7l2h by Molmil](/molmil-images/mine/7l2h) | Cryo-EM structure of unliganded full-length TRPV1 at neutral pH | Descriptor: | (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, ... | Authors: | Zhang, K, Julius, D, Cheng, Y. | Deposit date: | 2020-12-17 | Release date: | 2021-09-22 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
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7L2U
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![BU of 7l2u by Molmil](/molmil-images/mine/7l2u) | cryo-EM structure of DkTx-bound minimal TRPV1 in open state | Descriptor: | (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, ... | Authors: | Zhang, K, Julius, D, Cheng, Y. | Deposit date: | 2020-12-17 | Release date: | 2021-09-22 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
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7L2W
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![BU of 7l2w by Molmil](/molmil-images/mine/7l2w) | cryo-EM structure of RTX-bound minimal TRPV1 with NMDG at state a | Descriptor: | (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, ... | Authors: | Zhang, K, Julius, D, Cheng, Y. | Deposit date: | 2020-12-17 | Release date: | 2021-09-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
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7L2R
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![BU of 7l2r by Molmil](/molmil-images/mine/7l2r) | Cryo-EM structure of DkTx-bound minimal TRPV1 at the pre-open state | Descriptor: | (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, ... | Authors: | Zhang, K, Julius, D, Cheng, Y. | Deposit date: | 2020-12-17 | Release date: | 2021-09-22 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
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7L2S
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![BU of 7l2s by Molmil](/molmil-images/mine/7l2s) | cryo-EM structure of DkTx-bound minimal TRPV1 at the pre-bound state | Descriptor: | (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, ... | Authors: | Zhang, K, Julius, D, Cheng, Y. | Deposit date: | 2020-12-17 | Release date: | 2021-09-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
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7L2P
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![BU of 7l2p by Molmil](/molmil-images/mine/7l2p) | cryo-EM structure of unliganded minimal TRPV1 | Descriptor: | (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, ... | Authors: | Zhang, K, Julius, D, Cheng, Y. | Deposit date: | 2020-12-17 | Release date: | 2021-09-22 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
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7L2M
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![BU of 7l2m by Molmil](/molmil-images/mine/7l2m) | Cryo-EM structure of DkTx/RTX-bound full-length TRPV1 | Descriptor: | SODIUM ION, Tau-theraphotoxin-Hs1a, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Zhang, K, Julius, D, Cheng, Y. | Deposit date: | 2020-12-17 | Release date: | 2021-09-22 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
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7L2V
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![BU of 7l2v by Molmil](/molmil-images/mine/7l2v) | cryo-EM structure of RTX-bound minimal TRPV1 with NMDG at state b | Descriptor: | 6-deoxy-6-(methylamino)-D-galactitol, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Zhang, K, Julius, D, Cheng, Y. | Deposit date: | 2020-12-17 | Release date: | 2021-09-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
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