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7NDQ
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BU of 7ndq by Molmil
Gag:02 TCR in complex with HLA-E.
Descriptor: Beta-2-microglobulin, Gag6V, HLA class I histocompatibility antigen, ...
Authors:Pengelly, R.J, Robinson, R.A.
Deposit date:2021-02-02
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6PNY
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BU of 6pny by Molmil
X-ray Structure of Flpp3
Descriptor: Flpp3
Authors:Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P.
Deposit date:2019-07-03
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
2M4F
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BU of 2m4f by Molmil
Solution Structure of Outer surface protein E
Descriptor: Outer surface protein E
Authors:Bhattacharjee, A, Oeemig, J.S, Kolodziejczyk, R, Meri, T, Kajander, T, Iwai, H, Jokiranta, T, Goldman, A.
Deposit date:2013-02-05
Release date:2013-05-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for Complement Evasion by Lyme Disease Pathogen Borrelia burgdorferi
J.Biol.Chem., 288, 2013
4WL9
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BU of 4wl9 by Molmil
Time Resolved Serial Femtosecond Crystallography Captures High Resolution Intermediates of PYP
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Tenboer, J, Schmidt, M.
Deposit date:2014-10-06
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.
Science, 346, 2014
7ZL3
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BU of 7zl3 by Molmil
Signal peptide mimicry primes Sec61 for client-selective inhibition
Descriptor: Cyclic depsipeptide signal peptide mimic, Protein transport protein Sec61 subunit alpha, Protein transport protein Sec61 subunit beta, ...
Authors:Rehan, S, Paavilainen O, V.
Deposit date:2022-04-13
Release date:2023-03-22
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Signal peptide mimicry primes Sec61 for client-selective inhibition.
Nat.Chem.Biol., 19, 2023
5MG0
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BU of 5mg0 by Molmil
Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography
Descriptor: 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ...
Authors:Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M.
Deposit date:2016-11-20
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
5MG1
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BU of 5mg1 by Molmil
Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
Authors:Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M.
Deposit date:2016-11-20
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
5KAE
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BU of 5kae by Molmil
Crystal structure of human PI3K-gamma in complex with quinoline-containing inhibitor 5g
Descriptor: 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and in vivo evaluation of the potent and selective PI3K-delta inhibitors AM-0687 and AM-1430
To Be Published
6TLC
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BU of 6tlc by Molmil
Unphosphorylated human STAT3 in complex with MS3-6 monobody
Descriptor: Monobody, Signal transducer and activator of transcription 3
Authors:La Sala, G, Lau, K, Reynaud, A, Pojer, F, Hantschel, O.
Deposit date:2019-12-02
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Selective inhibition of STAT3 signaling using monobodies targeting the coiled-coil and N-terminal domains.
Nat Commun, 11, 2020
6N6O
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BU of 6n6o by Molmil
Crystal structure of the human TTK in complex with an inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ...
Authors:Fenalti, G.
Deposit date:2018-11-26
Release date:2019-05-15
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
6OA6
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BU of 6oa6 by Molmil
CRYSTAL STRUCTURE OF THE ACTIN-BINDING DOMAIN OF HUMAN ALPHA-ACTININ-4
Descriptor: Alpha-actinin-4, GLYCEROL
Authors:Birrane, G, Feng, D.
Deposit date:2019-03-15
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Phosphorylation of ACTN4 Leads to Podocyte Vulnerability and Proteinuric Glomerulosclerosis.
J. Am. Soc. Nephrol., 31, 2020
5ZLG
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BU of 5zlg by Molmil
Human duodenal cytochrome b (Dcytb) in zinc ion and ascorbate bound form
Descriptor: ASCORBIC ACID, Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H.
Deposit date:2018-03-27
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate.
Commun Biol, 1, 2018
6O31
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BU of 6o31 by Molmil
CRYSTAL STRUCTURE OF THE ACTIN-BINDING DOMAIN OF HUMAN ALPHA-ACTININ-4
Descriptor: Alpha-actinin-4
Authors:Birrane, G, Feng, D.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Phosphorylation of ACTN4 Leads to Podocyte Vulnerability and Proteinuric Glomerulosclerosis.
J. Am. Soc. Nephrol., 31, 2020
5ZLE
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BU of 5zle by Molmil
Human duodenal cytochrome b (Dcytb) in substrate free form
Descriptor: Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H.
Deposit date:2018-03-27
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate.
Commun Biol, 1, 2018
5AYF
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BU of 5ayf by Molmil
Crystal structure of SET7/9 in complex with cyproheptadine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine, Histone-lysine N-methyltransferase SETD7, ...
Authors:Niwa, H, Handa, N, Takemoto, Y, Ito, A, Tomabechi, Y, Umehara, T, Shirouzu, M, Yoshida, M, Yokoyama, S.
Deposit date:2015-08-20
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription
J.Med.Chem., 59, 2016
5XF1
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BU of 5xf1 by Molmil
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
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 (3.19 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
3OTQ
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BU of 3otq by Molmil
Soluble Epoxide Hydrolase in complex with pyrazole antagonist
Descriptor: Epoxide hydrolase 2, N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide
Authors:Farrow, N.A.
Deposit date:2010-09-13
Release date:2010-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain.
Bioorg.Med.Chem.Lett., 20, 2010
6GF6
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BU of 6gf6 by Molmil
Molecular basis of egg coat filament cross-linking: high-resolution structure of the partially deglycosylated ZP1 ZP-N1 domain homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Zona pellucida sperm-binding protein 1,Zona pellucida sperm-binding protein 1
Authors:Nishimura, K, Jovine, L.
Deposit date:2018-04-29
Release date:2019-06-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
6GF7
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BU of 6gf7 by Molmil
Molecular basis of egg coat filament cross-linking: Zn-SAD structure of the partially deglycosylated ZP1 ZP-N1 domain homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, Zona pellucida sperm-binding protein 1,Zona pellucida sperm-binding protein 1
Authors:Nishimura, K, Jovine, L.
Deposit date:2018-04-29
Release date:2019-06-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
6GF8
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BU of 6gf8 by Molmil
Molecular basis of egg coat filament cross-linking: structure of the glycosylated ZP1 ZP-N1 domain homodimer
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nishimura, K, Jovine, L.
Deposit date:2018-04-29
Release date:2019-06-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
3GI3
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BU of 3gi3 by Molmil
Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase
Descriptor: Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide
Authors:Qian, K.C.
Deposit date:2009-03-05
Release date:2009-10-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1HF4
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BU of 1hf4 by Molmil
STRUCTURAL EFFECTS OF MONOVALENT ANIONS ON POLYMORPHIC LYSOZYME CRYSTALS
Descriptor: LYSOZYME, NITRATE ION, SODIUM ION
Authors:Vaney, M.C, Broutin, I, Ries-Kautt, M, Ducruix, A.
Deposit date:2000-11-29
Release date:2001-01-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Effects of Monovalent Anions on Polymorphic Lysozyme Crystals
Acta Crystallogr.,Sect.D, 57, 2001
5XEZ
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BU of 5xez by Molmil
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
2B3P
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BU of 2b3p by Molmil
Crystal structure of a superfolder green fluorescent protein
Descriptor: ACETIC ACID, CADMIUM ION, green fluorescent protein
Authors:Pedelacq, J.D, Cabantous, S, Tran, T.H, Terwilliger, T.C, Waldo, G.S.
Deposit date:2005-09-20
Release date:2005-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Engineering and characterization of a superfolder green fluorescent protein.
Nat.Biotechnol., 24, 2006
2B3Q
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BU of 2b3q by Molmil
Crystal structure of a well-folded variant of green fluorescent protein
Descriptor: MAGNESIUM ION, green fluorescent protein
Authors:Pedelacq, J.D, Cabantous, S, Tran, T.H, Terwilliger, T.C, Waldo, G.S.
Deposit date:2005-09-20
Release date:2005-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering and characterization of a superfolder green fluorescent protein.
Nat.Biotechnol., 24, 2006

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