5H2K
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![BU of 5h2k by Molmil](/molmil-images/mine/5h2k) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 2 us after photoexcitation | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | Deposit date: | 2016-10-15 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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5XMQ
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![BU of 5xmq by Molmil](/molmil-images/mine/5xmq) | Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF011 | Descriptor: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | Deposit date: | 2017-05-16 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
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6SAL
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![BU of 6sal by Molmil](/molmil-images/mine/6sal) | ROR(gamma)t ligand binding domain in complex with allosteric ligand FM26 | Descriptor: | 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, Nuclear receptor ROR-gamma | Authors: | de Vries, R.M.J.M, Meijer, F.A, Doveston, R.G, Brunsveld, L. | Deposit date: | 2019-07-17 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor gamma t (ROR gamma t) Inverse Agonists. J.Med.Chem., 63, 2020
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6VE6
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![BU of 6ve6 by Molmil](/molmil-images/mine/6ve6) | A structural characterization of poly(aspartic acid) hydrolase-1 from Sphingomonas sp. KT-1. | Descriptor: | Poly(Aspartic acid) hydrolase-1 | Authors: | Bolay, A.L, Salvo, H, Brambley, C.A, Yared, T.J, Miller, J.M, Wallen, J.R, Weiland, M.H. | Deposit date: | 2019-12-28 | Release date: | 2020-12-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.446 Å) | Cite: | Structural Characterization of Sphingomonas sp. KT-1 PahZ1-Catalyzed Biodegradation of Thermally Synthesized Poly(aspartic acid) Acs Sustain Chem Eng, 2020
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7QZ9
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6PKW
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![BU of 6pkw by Molmil](/molmil-images/mine/6pkw) | Cryo-EM structure of the zebrafish TRPM2 channel in the apo conformation, processed with C2 symmetry (pseudo C4 symmetry) | Descriptor: | Transient receptor potential cation channel subfamily M member 2 | Authors: | Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y. | Deposit date: | 2019-06-30 | Release date: | 2019-08-28 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel. Nat Commun, 10, 2019
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7UT9
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![BU of 7ut9 by Molmil](/molmil-images/mine/7ut9) | CryoEM structure of Azotobacter vinelandii nitrogenase complex (1:1 FeP:MoFeP, ADP/ATP-bound) during catalytic N2 reduction | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Rutledge, H.L, Cook, B, Tezcan, F.A, Herzik, M.A. | Deposit date: | 2022-04-26 | Release date: | 2022-08-17 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Structures of the nitrogenase complex prepared under catalytic turnover conditions. Science, 377, 2022
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8SS7
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![BU of 8ss7 by Molmil](/molmil-images/mine/8ss7) | Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK, channel blocker spermidine and antiepileptic drug perampanel (closed state) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ... | Authors: | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | Deposit date: | 2023-05-08 | Release date: | 2023-09-06 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2. Nat.Struct.Mol.Biol., 30, 2023
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5JM7
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7UT8
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![BU of 7ut8 by Molmil](/molmil-images/mine/7ut8) | CryoEM structure of Azotobacter vinelandii nitrogenase complex (1:1 FeP:MoFeP, ATP-bound) during catalytic N2 reduction | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-TRIPHOSPHATE, FE (III) ION, ... | Authors: | Rutledge, H.L, Cook, B, Tezcan, F.A, Herzik, M.A. | Deposit date: | 2022-04-26 | Release date: | 2022-08-17 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Structures of the nitrogenase complex prepared under catalytic turnover conditions. Science, 377, 2022
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8SS9
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![BU of 8ss9 by Molmil](/molmil-images/mine/8ss9) | Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunit TARP gamma-5 bound to competitive antagonist ZK and antiepileptic drug perampanel (closed state) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ... | Authors: | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | Deposit date: | 2023-05-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2. Nat.Struct.Mol.Biol., 30, 2023
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8SS6
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![BU of 8ss6 by Molmil](/molmil-images/mine/8ss6) | Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK, channel blocker spermidine and antiepileptic drug perampanel (closed state) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ... | Authors: | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | Deposit date: | 2023-05-08 | Release date: | 2023-09-06 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2. Nat.Struct.Mol.Biol., 30, 2023
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4RD8
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![BU of 4rd8 by Molmil](/molmil-images/mine/4rd8) | The crystal structure of a functionally-unknown protein from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 | Descriptor: | Uncharacterized protein | Authors: | Tan, K, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-09-18 | Release date: | 2014-10-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The crystal structure of a functionally-unknown protein from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 To be Published
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8DXH
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![BU of 8dxh by Molmil](/molmil-images/mine/8dxh) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-fluoroquinazolin-4-ol at W266 site | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, 5-fluoranyl-3,4-dihydroquinazolin-4-ol, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8JZ0
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4RGS
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![BU of 4rgs by Molmil](/molmil-images/mine/4rgs) | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with Vanilin | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, GLYCEROL, Repressor protein, ... | Authors: | Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-09-30 | Release date: | 2015-03-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with Vanilin To be Published, 2014
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6UVO
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![BU of 6uvo by Molmil](/molmil-images/mine/6uvo) | Structure of antibody 3G12 bound to the central conserved domain of RSV G | Descriptor: | 3G12 Fab Heavy chain, 3G12 Fab light chain, Major surface glycoprotein G | Authors: | Fedechkin, S.O, George, N.L, Nunez Castrejon, A.M, Dillen, J, Kauvar, L.M, DuBois, R.M. | Deposit date: | 2019-11-03 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformational Flexibility in Respiratory Syncytial Virus G Neutralizing Epitopes. J.Virol., 94, 2020
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6VCK
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![BU of 6vck by Molmil](/molmil-images/mine/6vck) | Crystal structure of E.coli RppH-DapF in complex with GDP, Mg2+ and F- | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ... | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | Deposit date: | 2019-12-21 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
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4RGU
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![BU of 4rgu by Molmil](/molmil-images/mine/4rgu) | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with ferulic acid | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-09-30 | Release date: | 2015-03-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with ferulic acid To be Published, 2014
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5JFM
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6IFG
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![BU of 6ifg by Molmil](/molmil-images/mine/6ifg) | Crystal structure of M1 zinc metallopeptidase E323A mutant bound to Tyr-ser-ala substrate from Deinococcus radiodurans | Descriptor: | FORMIC ACID, Tripeptides (TYR-SER-ALA), ZINC ION, ... | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | Deposit date: | 2018-09-20 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Two-domain aminopeptidase of M1 family: Structural features for substrate binding and gating in absence of C-terminal domain. J.Struct.Biol., 208, 2019
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5XEZ
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![BU of 5xez by Molmil](/molmil-images/mine/5xez) | Structure of the Full-length glucagon class B G protein-coupled receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ... | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2017-04-06 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature, 546, 2017
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6AN1
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![BU of 6an1 by Molmil](/molmil-images/mine/6an1) | Crystal structure of the complex between PPARgamma LBD and the ligand AM-879 | Descriptor: | 4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Veras, H, Figueira, A.C, le Maire, A. | Deposit date: | 2017-08-11 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.687 Å) | Cite: | Screening for PPAR Non-Agonist Ligands Followed by Characterization of a Hit, AM-879, with Additional No-Adipogenic and cdk5-Mediated Phosphorylation Inhibition Properties. Front Endocrinol (Lausanne), 9, 2018
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6SAS
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![BU of 6sas by Molmil](/molmil-images/mine/6sas) | Human Carbonic Anhydrase II in complex with fragment. | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-17 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6ETB
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![BU of 6etb by Molmil](/molmil-images/mine/6etb) | Aerobic S262Y mutation of E. coli FLRD core | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Borges, P.T, Romao, C.V, Carrondo, M.A, Teixeira, M, Frazao, C. | Deposit date: | 2017-10-26 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | A tyrosine mutation in E. coli flavodiiron protein increases radiation sensitivity in the crystal structure To Be Published
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