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2IT4
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BU of 2it4 by Molmil
X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet
Descriptor: Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION
Authors:Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T.
Deposit date:2006-10-19
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I.
Bioorg.Med.Chem.Lett., 17, 2007
6S3J
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BU of 6s3j by Molmil
Crystal Structure of lipase from Geobacillus stearothermophilus T6 variant E134C/F149C
Descriptor: CALCIUM ION, Lipase, ZINC ION
Authors:Gihaz, S, Bash, Y, Rush, I, Shahar, A, Pazy, Y, Fishman, A.
Deposit date:2019-06-25
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bridges to Stability: Engineering Disulfide Bonds Towards Enhanced Lipase Biodiesel Synthesis
Chemcatchem, 2019
6S3Q
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BU of 6s3q by Molmil
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with TFB-TBOA
Descriptor: (2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2019-06-25
Release date:2020-07-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structure of human excitatory amino acid transporter 3 (EAAT3)
TO BE PUBLISHED
8TG9
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BU of 8tg9 by Molmil
Complex of NPR1 ectodomain with ANP plus an allosteric activating antibody, REGN5381
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Atrial natriuretic peptide, ...
Authors:Franklin, M.C, Romero Hernandez, A.
Deposit date:2023-07-12
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Complex of NPR1 ectodomain with ANP plus an allosteric activating antibody, REGN5381
To Be Published
2DRE
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BU of 2dre by Molmil
Crystal structure of Water-soluble chlorophyll protein from lepidium virginicum at 2.00 angstrom resolution
Descriptor: CHLOROPHYLL A, Water-soluble chlorophyll protein
Authors:Horigome, D, Satoh, H, Itoh, N, Mitsunaga, K, Oonishi, I, Nakagawa, A, Uchida, A.
Deposit date:2006-06-08
Release date:2006-12-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural mechanism and photoprotective function of water-soluble chlorophyll-binding protein.
J.Biol.Chem., 282, 2007
8TRC
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BU of 8trc by Molmil
mGluR3 in the presence of the antagonist LY 341495 and positive allosteric modulator VU6023326
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, Metabotropic glutamate receptor 3
Authors:Strauss, A, Levitz, J.
Deposit date:2023-08-09
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
8TR2
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BU of 8tr2 by Molmil
mGluR3 in the presence of the agonist LY379268
Descriptor: (1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid, CALCIUM ION, Metabotropic glutamate receptor 3
Authors:Strauss, A, Levitz, J.
Deposit date:2023-08-09
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
8TGA
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BU of 8tga by Molmil
Complex of NPR1 ectodomain and REGN5381 Fab in an active-like state with no ANP bound
Descriptor: Atrial natriuretic peptide receptor 1, REGN5381 Fab heavy chain, REGN5381 Fab light chain
Authors:Franklin, M.C, Romero Hernandez, A.
Deposit date:2023-07-12
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Complex of NPR1 ectodomain and REGN5381 Fab in an active-like state with no ANP bound
To Be Published
8TQB
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BU of 8tqb by Molmil
mGluR3 in the presence of the agonist LY379268 and PAM VU6023326
Descriptor: (1R,4R,5S,6R)-4-azanyl-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid, CALCIUM ION, Metabotropic glutamate receptor 3
Authors:Strauss, A, Levitz, J.
Deposit date:2023-08-06
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
1JB9
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BU of 1jb9 by Molmil
Crystal Structure of The Ferredoxin:NADP+ Reductase From Maize Root AT 1.7 Angstroms
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, ferredoxin-NADP reductase
Authors:Faber, H.R, Karplus, P.A, Aliverti, A, Ferioli, C, Spinola, M.
Deposit date:2001-06-03
Release date:2001-07-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and crystallographic characterization of ferredoxin-NADP(+) reductase from nonphotosynthetic tissues.
Biochemistry, 40, 2001
8TR0
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BU of 8tr0 by Molmil
Metabotropic glutamate receptor 3 class 3 bound to antagonist LY 341495
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, Metabotropic glutamate receptor 3
Authors:Strauss, A, Levitz, J.
Deposit date:2023-08-09
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
6S4M
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BU of 6s4m by Molmil
Crystal structure of the human organic anion transporter MFSD10 (TETRAN)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Major facilitator superfamily domain-containing protein 10
Authors:Pascoa, T.C, Pike, A.C.W, Bushell, S.R, Quigley, A, Chu, A, Mukhopadhyay, S.M.M, Shrestha, L, Venkaya, S, Chalk, R, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2019-06-28
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the human organic anion transporter TETRAN (MFSD10)
To be published
5MJM
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BU of 5mjm by Molmil
Single-shot pink beam serial crystallography: Phycocyanin (Five chips merged)
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
Authors:Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I.
Deposit date:2016-12-01
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Pink-beam serial crystallography.
Nat Commun, 8, 2017
5MKG
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BU of 5mkg by Molmil
PA3825-EAL Ca-CdG Structure
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Diguanylate phosphodiesterase
Authors:Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M.
Deposit date:2016-12-04
Release date:2016-12-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
8PQN
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BU of 8pqn by Molmil
NQO1 bound to RBS-10
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide
Authors:Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A.
Deposit date:2023-07-11
Release date:2024-01-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders.
Angew.Chem.Int.Ed.Engl., 63, 2024
1JIQ
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BU of 1jiq by Molmil
Crystal Structure of Human Autocrine Motility Factor
Descriptor: autocrine motility factor
Authors:Tanaka, N, Haga, A, Uemura, H, Akiyama, H, Funasaka, T, Nagase, H, Raz, A, Nakamura, K.T.
Deposit date:2001-07-02
Release date:2002-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition mechanism of cytokine activity of human autocrine motility factor examined by crystal structure analyses and site-directed mutagenesis studies.
J.Mol.Biol., 318, 2002
8PVV
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BU of 8pvv by Molmil
Archaeoglobus fulgidus AfAgo complex with AfAgo-N protein (fAfAgo) bound with 30 nt RNA guide and 51 nt DNA target
Descriptor: Archaeoglobus fulgidus AfAgo-N protein, DNA (51-MER), MAGNESIUM ION, ...
Authors:Manakova, E.N, Zaremba, M, Pocevicuite, R, Golovinas, E, Sasnauskas, G, Zagorskaite, E, Silanskas, A.
Deposit date:2023-07-18
Release date:2024-01-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
8Q0R
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BU of 8q0r by Molmil
X-ray structure of MNEI mutant Mut9 (E23A, C41A, Y65R, S76Y)
Descriptor: ACETATE ION, Monellin chain B,Monellin chain A, SULFATE ION
Authors:Ferraro, G, Merlino, A, Lucignano, R, Picone, D.
Deposit date:2023-07-29
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights and aggregation propensity of a super-stable monellin mutant: A new potential building block for protein-based nanostructured materials.
Int.J.Biol.Macromol., 254, 2024
1JQH
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BU of 1jqh by Molmil
IGF-1 receptor kinase domain
Descriptor: IGF-1 receptor kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Pautsch, A, Zoephel, A, Ahorn, H, Spevak, W, Hauptmann, R, Nar, H.
Deposit date:2001-08-07
Release date:2002-04-19
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of bisphosphorylated IGF-1 receptor kinase: insight into domain movements upon kinase activation.
Structure, 9, 2001
1U0D
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BU of 1u0d by Molmil
Y33H Mutant of Homing endonuclease I-CreI
Descriptor: 5'-D(*CP*GP*GP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*CP*GP*C)-3', 5'-D(*GP*CP*GP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*CP*CP*G)-3', DNA endonuclease I-CreI
Authors:Sussman, D, Chadsey, M, Fauce, S, Engel, A, Bruett, A, Monnat, R, Stoddard, B.L, Seligman, L.M.
Deposit date:2004-07-13
Release date:2004-11-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Isolation and characterization of new homing endonuclease specificities at individual target site positions.
J.Mol.Biol., 342, 2004
8PLZ
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BU of 8plz by Molmil
Cryo-EM structure of CAK in complex with inhibitor CT7030
Descriptor: (3~{R},4~{R})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-06-27
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
1UF2
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BU of 1uf2 by Molmil
The Atomic Structure of Rice dwarf Virus (RDV)
Descriptor: Core protein P3, Outer capsid protein P8, Structural protein P7
Authors:Nakagawa, A, Miyazaki, N, Taka, J, Naitow, H, Ogawa, A, Fujimoto, Z, Mizuno, H, Higashi, T, Watanabe, Y, Omura, T, Cheng, R.H, Tsukihara, T.
Deposit date:2003-05-23
Release date:2003-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The atomic structure of rice dwarf virus reveals the self-assembly mechanism of component proteins.
Structure, 11, 2003
1U4L
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BU of 1u4l by Molmil
human RANTES complexed to heparin-derived disaccharide I-S
Descriptor: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACETIC ACID, Small inducible cytokine A5
Authors:Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I.
Deposit date:2004-07-26
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors.
Structure, 12, 2004
2JE5
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BU of 2je5 by Molmil
STRUCTURAL AND MECHANISTIC BASIS OF PENICILLIN BINDING PROTEIN INHIBITION BY LACTIVICINS
Descriptor: (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ...
Authors:Macheboeuf, P, Fisher, D.S, Brown, T.J, Zervosen, A, Luxen, A, Joris, B, Dessen, A, Schofield, C.J.
Deposit date:2007-01-15
Release date:2007-08-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Mechanistic Basis of Penicillin-Binding Protein Inhibition by Lactivicins
Nat.Chem.Biol., 3, 2007
8U3M
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BU of 8u3m by Molmil
The FARFAR-MD-NMR ensemble of an HIV-1 TAR excited state
Descriptor: The excited state of HIV-1 transactivation response element (31-MER)
Authors:Geng, A, Ganser, L, Roy, R, Shi, H, Pratihar, S, Case, D.A, Al-Hashimi, H.M.
Deposit date:2023-09-07
Release date:2023-10-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An RNA excited conformational state at atomic resolution.
Nat Commun, 14, 2023

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數據於2024-08-14公開中

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