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2YC5
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BU of 2yc5 by Molmil
Inhibitors of the herbicidal target IspD
Descriptor: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ...
Authors:Hoeffken, H.W.
Deposit date:2011-03-11
Release date:2011-08-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
8FYV
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BU of 8fyv by Molmil
Salmonella enterica serovar Typhimurium chemoreceptor Tsr (taxis to serine and repellents) ligand-binding domain in complex with l-serine
Descriptor: CHLORIDE ION, Methyl-accepting chemotaxis protein, SERINE, ...
Authors:Baylink, A, Gentry-Lear, Z, Glenn, S.
Deposit date:2023-01-26
Release date:2024-05-15
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bacterial vampirism mediated through taxis to serum.
Elife, 12, 2024
8FHA
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BU of 8fha by Molmil
Intramolecular ester bond-containing repeat domain 1 from Suipraoptans intestinalis adhesin
Descriptor: Adhesin, CALCIUM ION, SODIUM ION
Authors:Jin, S, Young, P.G, Squire, C.J.
Deposit date:2022-12-13
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Intramolecular ester bond-containing repeat domain from Suipraoptans intestinalis adhesin
To Be Published
2YJ7
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BU of 2yj7 by Molmil
Crystal structure of a hyperstable protein from the Precambrian period
Descriptor: LPBCA THIOREDOXIN, SODIUM ION
Authors:Gavira, J.A, Ingles, A, Ibarra, B, Garcia-Ruiz, J.M.
Deposit date:2011-05-19
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
7U0O
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BU of 7u0o by Molmil
Crystal structure of an enoyl-[acyl-carrier-protein] reductase InhA from Mycobacterium fortuitum bound to NAD and NITD-916
Descriptor: 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:In Vitro and In Vivo Efficacy of NITD-916 against Mycobacterium fortuitum.
Antimicrob.Agents Chemother., 67, 2023
7U1R
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BU of 7u1r by Molmil
SARS-CoV-2 Spike-derived peptide S1185-1193 K1191N mutant (RLNEVANNL) presented by HLA-A*02:01
Descriptor: ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ...
Authors:Szeto, C, Gras, S.
Deposit date:2022-02-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SARS-CoV-2 Spike-derived peptide S1185-1193 K1191N mutant (RLNEVANNL) presented by HLA-A*02:01
To Be Published
8G8D
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BU of 8g8d by Molmil
Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide
Descriptor: DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ...
Authors:Niyongabo, A, Janus, B.M, Ofek, G.
Deposit date:2023-02-17
Release date:2024-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
8G8A
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BU of 8g8a by Molmil
Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ...
Authors:Janus, B.M, Astavans, A, Ofek, G.
Deposit date:2023-02-17
Release date:2024-05-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
2YD3
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BU of 2yd3 by Molmil
Crystal structure of the N-terminal Ig1-2 module of Human Receptor Protein Tyrosine Phosphatase Sigma
Descriptor: CHLORIDE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE S, SODIUM ION
Authors:Coles, C.H, Shen, Y, Tenney, A.P, Siebold, C, Sutton, G.C, Lu, W, Gallagher, J.T, Jones, E.Y, Flanagan, J.G, Aricescu, A.R.
Deposit date:2011-03-17
Release date:2011-04-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Proteoglycan-Specific Molecular Switch for Rptp Sigma Clustering and Neuronal Extension.
Science, 332, 2011
7TPM
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BU of 7tpm by Molmil
Structure of the outer-membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CHLORIDE ION, Outer membrane lipoprotein carrier protein LolA, ...
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Zueckert, W.R.
Deposit date:2022-01-25
Release date:2023-03-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the outer-membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi
To be published
7U68
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BU of 7u68 by Molmil
Crystal structure of the Vitronectin hemopexin-like domain binding Sodium-2
Descriptor: CHLORIDE ION, SODIUM ION, SULFATE ION, ...
Authors:Aleshin, A.E, Marassi, F.M.
Deposit date:2022-03-03
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for calcium-induced thermostability of human vitronectin
To Be Published
8GN9
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BU of 8gn9 by Molmil
SPFH domain of Pyrococcus horikoshii stomatin
Descriptor: SODIUM ION, Stomatin homolog PH1511
Authors:Komatsu, T, Matsui, I, Yokoyama, H.
Deposit date:2022-08-23
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and mutational studies suggest key residues to determine whether stomatin SPFH domains form dimers or trimers.
Biochem Biophys Rep, 32, 2022
8GPZ
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BU of 8gpz by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with C239-0012
Descriptor: 3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4, FORMIC ACID, ...
Authors:Park, T.H, Lee, B.I.
Deposit date:2022-08-27
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.528 Å)
Cite:Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study.
Sci Rep, 13, 2023
8GQ0
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BU of 8gq0 by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with STL233497
Descriptor: Bromodomain-containing protein 4, FORMIC ACID, GLYCEROL, ...
Authors:Park, T.H, Lee, B.I.
Deposit date:2022-08-27
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study.
Sci Rep, 13, 2023
8G1Y
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BU of 8g1y by Molmil
Crystal Structure of the Threonine Synthase from Streptococcus pneumoniae in complex with Pyridoxal 5-phosphate.
Descriptor: CHLORIDE ION, D-MALATE, GLYCEROL, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2023-02-03
Release date:2023-02-15
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal Structure of the Threonine Synthase from Streptococcus pneumoniae in complex with Pyridoxal 5-phosphate.
To Be Published
8G62
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BU of 8g62 by Molmil
Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
Descriptor: 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-02-14
Release date:2023-02-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
To Be Published
2YMS
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BU of 2yms by Molmil
Structure and assembly of a b-propeller with nine blades and a new conserved repetitive sequence motif
Descriptor: OUTER MEMBRANE PROTEIN ASSEMBLY FACTOR BAMB, SODIUM ION
Authors:Zeth, K, Albrecht, R.
Deposit date:2012-10-10
Release date:2013-10-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure and Assembly of a B-Propeller with Nine Blades and a New Conserved Repetitive Sequence Motif
To be Published
8G18
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BU of 8g18 by Molmil
Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-108
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
Authors:Regan, M.C, Furukawa, H.
Deposit date:2023-02-01
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Novel GluN2B-Selective NMDA Receptor Negative Allosteric Modulator Possesses Intrinsic Analgesic Properties and Enhances Analgesia of Morphine in a Rodent Tail Flick Pain Model.
Acs Chem Neurosci, 14, 2023
8GSG
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BU of 8gsg by Molmil
T3R3 form of Human insulin with single Zn
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Zhu, Z.L.
Deposit date:2022-09-06
Release date:2023-03-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:T3R3 insulin with single Zn
To Be Published
8GNE
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BU of 8gne by Molmil
Crystal structure of human adenosine A2A receptor in complex with an insurmountable inverse agonist, KW-6356.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M.
Deposit date:2022-08-23
Release date:2023-03-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist.
Mol.Pharmacol., 103, 2023
8GQZ
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BU of 8gqz by Molmil
Crystal structure of mitochondrial citrate synthase (Cit1) from Saccharomyces cerevisiae
Descriptor: ACETATE ION, CHLORIDE ION, Citrate synthase, ...
Authors:Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T.
Deposit date:2022-08-31
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
3BJP
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BU of 3bjp by Molmil
Urate oxidase cyanide uric acid ternary complex
Descriptor: ACETYL GROUP, CYANIDE ION, SODIUM ION, ...
Authors:Gabison, L, Prange, T, Colloc'h, N, El Hajji, M, Castro, B, Chiadmi, M.
Deposit date:2007-12-04
Release date:2008-08-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of urate oxidase in complex with its natural substrate inhibited by cyanide: Mechanistic implications
Bmc Struct.Biol., 8, 2008
7UGH
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BU of 7ugh by Molmil
Crystal Structure of enolase family protein from Naegleria fowleri with bound 2-phosphoglyceric acid
Descriptor: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-03-24
Release date:2022-04-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of enolase family protein from Naegleria fowleri with bound 2-phosphoglyceric acid
to be published
7ULT
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BU of 7ult by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer Apo-Form.
Descriptor: 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-04-05
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer Apo-Form.
To Be Published
7UFK
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BU of 7ufk by Molmil
Crystal structure of chimeric omicron RBD (strain BA.2) complexed with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, W, Shi, K, Geng, Q, Ye, G, Aihara, H, Li, F.
Deposit date:2022-03-22
Release date:2022-10-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis for mouse receptor recognition by SARS-CoV-2 omicron variant.
Proc.Natl.Acad.Sci.USA, 119, 2022

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