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8ELH
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BU of 8elh by Molmil
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANQF from SARS-CoV-2 virus
Descriptor: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Murdolo, L.D, Gras, S.
Deposit date:2022-09-24
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection.
Nature, 620, 2023
6WXJ
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BU of 6wxj by Molmil
CSF1R signaling is a regulator of pathogenesis in progressive MS
Descriptor: 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine, Macrophage colony-stimulating factor 1 receptor
Authors:Liu, J.
Deposit date:2020-05-10
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:CSF1R signaling is a regulator of pathogenesis in progressive MS.
Cell Death Dis, 11, 2020
1Q95
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BU of 1q95 by Molmil
Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ...
Authors:Huang, J, Lipscomb, W.N.
Deposit date:2003-08-22
Release date:2004-06-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R-State Bound to PALA, or to Product Analogues Citrate and Phosphate
Biochemistry, 43, 2004
1NXY
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BU of 1nxy by Molmil
Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2)
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase TEM, POTASSIUM ION
Authors:Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
Deposit date:2003-02-11
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
1PS5
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BU of 1ps5 by Molmil
STRUCTURE OF THE MONOCLINIC C2 FORM OF HEN EGG-WHITE LYSOZYME AT 2.0 ANGSTROMS RESOLUTION
Descriptor: Lysozyme C, SULFATE ION
Authors:Majeed, S, Ofek, G, Belachew, A, Huang, C, Zhou, T, Kwong, P.D.
Deposit date:2003-06-20
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enhancing Protein Crystallization through Precipitant Synergy
Structure, 11, 2003
1R0B
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BU of 1r0b by Molmil
Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CITRATE ANION, ...
Authors:Huang, J, Lipscomb, W.N.
Deposit date:2003-09-19
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R-State Bound to PALA, or to Product Analogues Citrate and Phosphate
Biochemistry, 43, 2004
1F37
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BU of 1f37 by Molmil
STRUCTURE OF A THIOREDOXIN-LIKE [2FE-2S] FERREDOXIN FROM AQUIFEX AEOLICUS
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN [2FE-2S], GLYCEROL
Authors:Yeh, A.P, Chatelet, C, Soltis, S.M, Kuhn, P, Meyer, J, Rees, D.C.
Deposit date:2000-05-31
Release date:2000-07-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus.
J.Mol.Biol., 300, 2000
7SI2
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BU of 7si2 by Molmil
Crystal structure of neutralizing antibody 10-28 in complex with SARS-CoV-2 spike receptor binding domain (RBD)
Descriptor: 10-28 Heavy Chain, 10-28 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2021-10-12
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
7SD5
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BU of 7sd5 by Molmil
Crystallographic structure of neutralizing antibody 10-40 in complex with SARS-CoV-2 spike receptor binding domain
Descriptor: 10-40 Heavy chain, 10-40 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reddem, E.R, Casner, R.G, Shapiro, L.
Deposit date:2021-09-29
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
1FN6
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BU of 1fn6 by Molmil
CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH 0.1% POLYDOCANOL
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, METHANOL, ...
Authors:Deepthi, S, Johnson, A, Pattabhi, V.
Deposit date:2000-08-21
Release date:2000-09-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of porcine beta-trypsin-detergent complexes: the stabilization of proteins through hydrophilic binding of polydocanol.
Acta Crystallogr.,Sect.D, 57, 2001
1FJ8
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BU of 1fj8 by Molmil
THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH CERULENIN, IMPLICATIONS FOR DRUG DESIGN
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I
Authors:Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O.
Deposit date:2000-08-07
Release date:2000-08-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism.
J.Biol.Chem., 276, 2001
6ELI
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BU of 6eli by Molmil
Structure of HIV-1 reverse transcriptase (RT) in complex with rilpivirine and an RNase H inhibitor XZ462
Descriptor: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Gag-Pol polyprotein, ...
Authors:Das, K, Arnold, E.
Deposit date:2017-09-29
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Developing and Evaluating Inhibitors against the RNase H Active Site of HIV-1 Reverse Transcriptase.
J. Virol., 92, 2018
1F9O
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BU of 1f9o by Molmil
Crystal structure of the cellulase Cel48F from C. Cellulolyticum with the thiooligosaccharide inhibitor PIPS-IG3
Descriptor: CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-iodophenyl 1,4-dithio-beta-D-glucopyranoside
Authors:Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R.
Deposit date:2000-07-11
Release date:2000-08-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action
Biochemistry, 39, 2000
1FIV
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BU of 1fiv by Molmil
STRUCTURE OF AN INHIBITOR COMPLEX OF PROTEINASE FROM FELINE IMMUNODEFICIENCY VIRUS
Descriptor: FIV PROTEASE, FIV PROTEASE INHIBITOR ACE-ALN-VAL-STA-GLU-ALN-NH2
Authors:Wlodawer, A, Gustchina, A, Reshetnikova, L, Lubkowski, J, Zdanov, A.
Deposit date:1995-05-04
Release date:1995-07-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of an inhibitor complex of the proteinase from feline immunodeficiency virus.
Nat.Struct.Biol., 2, 1995
1FJ1
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BU of 1fj1 by Molmil
LYME DISEASE ANTIGEN OSPA IN COMPLEX WITH NEUTRALIZING ANTIBODY FAB LA-2
Descriptor: HYBRIDOMA ANTIBODY LA2 (HEAVY CHAIN), HYBRIDOMA ANTIBODY LA2 (LIGHT CHAIN), OUTER SURFACE PROTEIN A
Authors:Ding, W, Lawson, C.L.
Deposit date:2000-08-07
Release date:2000-10-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural identification of a key protective B-cell epitope in Lyme disease antigen OspA.
J.Mol.Biol., 302, 2000
7ZMJ
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BU of 7zmj by Molmil
SFX structure of dye-type peroxidase DtpB R243A variant in the ferric state
Descriptor: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative dye-decolorizing peroxidase (DyP), ...
Authors:Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S.
Deposit date:2022-04-19
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
7SN1
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BU of 7sn1 by Molmil
Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab
Descriptor: neutralizing antibody C1C-A3 Fab heavy chain, neutralizing antibody C1C-A3 Fab light chain
Authors:Pan, J, Abraham, J, Clark, S.
Deposit date:2021-10-27
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.467 Å)
Cite:Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN3
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BU of 7sn3 by Molmil
Structure of human SARS-CoV-2 spike glycoprotein trimer bound by neutralizing antibody C1C-A3 Fab (variable region)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, J, Abraham, J, Shankar, S.
Deposit date:2021-10-27
Release date:2021-12-08
Last modified:2022-02-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN2
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BU of 7sn2 by Molmil
Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, J, Abraham, J, Yang, P, Shankar, S.
Deposit date:2021-10-27
Release date:2021-12-08
Last modified:2022-02-02
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
6FHY
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BU of 6fhy by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
Descriptor: (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Houser, J, Jancarikova, G, Wimmerova, M.
Deposit date:2018-01-16
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
6FHX
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BU of 6fhx by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
Descriptor: (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Lectin PHL, ...
Authors:Houser, J, Jancarikova, G, Wimmerova, M.
Deposit date:2018-01-16
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
8B48
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BU of 8b48 by Molmil
Structure of Lentithecium fluviatile carbohydrate esterase from the CE15 family (LfCE15C)
Descriptor: Carbohydrate esterase family 15 protein, FORMIC ACID, 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, ...
Authors:Scholzen, K, Mazurkewich, S, Poulsen, J.C.N, Larsbrink, J, Lo Leggio, L.
Deposit date:2022-09-20
Release date:2023-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and functional investigation of a fungal member of carbohydrate esterase family 15 with potential specificity for rare xylans.
Acta Crystallogr D Struct Biol, 79, 2023
8BCC
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BU of 8bcc by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 39
Descriptor: 1,2-ETHANEDIOL, 3-oxidanylbenzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ...
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
8BCG
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BU of 8bcg by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 86
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ...
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
8BCH
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Human Brr2 Helicase Region in complex with Sulfaguanidine
Descriptor: 1-(4-aminophenyl)sulfonylguanidine, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023

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