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4WOC
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BU of 4woc by Molmil
Proteinase-K Post-Surface Acoustic Waves
Descriptor: Proteinase K, SULFATE ION
Authors:French, J.B.
Deposit date:2014-10-15
Release date:2015-02-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Precise Manipulation and Patterning of Protein Crystals for Macromolecular Crystallography Using Surface Acoustic Waves.
Small, 11, 2015
7CKP
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BU of 7ckp by Molmil
Mycobacterium tuberculosis Enolase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Enolase, MAGNESIUM ION
Authors:Biswal, B.K, Ahmad, M, Jha, B.
Deposit date:2020-07-18
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7CLK
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BU of 7clk by Molmil
Mycobacterium tuberculosis enolase in complex with alternate 2-phosphoglycerate
Descriptor: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
Authors:Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K.
Deposit date:2020-07-21
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
8XGA
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BU of 8xga by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.537 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8ZC0
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BU of 8zc0 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8Y1M
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BU of 8y1m by Molmil
Xylanase R from Bacillus sp. TAR-1 complexed with xylobiose.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Nakamura, T, Kuwata, K, Takita, T, Mizutani, K, Mikami, B, Nakamura, S, Yasukawa, K.
Deposit date:2024-01-25
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR.
Sci Rep, 14, 2024
8XFV
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BU of 8xfv by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one
Descriptor: 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-14
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
9BRV
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BU of 9brv by Molmil
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 5
Descriptor: CHLORIDE ION, N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thiourea, Papain-like protease nsp3, ...
Authors:Amporndanai, K, Zhao, B, Fesik, S.W.
Deposit date:2024-05-11
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PLpro)
Acs Med.Chem.Lett., 2024
7BET
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BU of 7bet by Molmil
Structure of Ribonucleotide reductase R2 from Escherichia coli collected by femtosecond serial crystallography on a COC membrane
Descriptor: FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta
Authors:Aurelius, O, John, J, Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Hogbom, M, Wang, M, Pedrini, B.
Deposit date:2020-12-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
5KZO
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BU of 5kzo by Molmil
Notch1 transmembrane and associated juxtamembrane segment
Descriptor: Neurogenic locus notch homolog protein 1
Authors:Deatherage, C.L, Lu, Z, Kroncke, B.
Deposit date:2016-07-25
Release date:2017-05-10
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and biochemical differences between the Notch and the amyloid precursor protein transmembrane domains.
Sci Adv, 3, 2017
9LYZ
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BU of 9lyz by Molmil
X-RAY CRYSTALLOGRAPHY OF THE BINDING OF THE BACTERIAL CELL WALL TRISACCHARIDE NAM-NAG-NAM TO LYSOZYME
Descriptor: HEN EGG WHITE LYSOZYME, N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid
Authors:Kelly, J.A, James, M.N.G.
Deposit date:1979-12-06
Release date:1980-02-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray crystallography of the binding of the bacterial cell wall trisaccharide NAM-NAG-NAM to lysozyme.
Nature, 282, 1979
8ZBY
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BU of 8zby by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (x2-4P) in complex with 3 D1F6 Fabs (0 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC4
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BU of 8zc4 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8XGY
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BU of 8xgy by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (R,Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((1-acetylpyrrolidin-3-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-16
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
2AI6
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BU of 2ai6 by Molmil
Solution structure of human phosphohistidine phosphatase 1
Descriptor: 14 kDa phosphohistidine phosphatase
Authors:Gong, W, Cui, G, Jin, C, Xia, B.
Deposit date:2005-07-29
Release date:2006-10-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure and catalytic mechanism of human protein histidine phosphatase 1.
Biochem.J., 418, 2009
4U8G
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BU of 4u8g by Molmil
Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus agalactiae
Descriptor: Putative uncharacterized protein gbs1891
Authors:Maruyama, Y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W.
Deposit date:2014-08-03
Release date:2014-12-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE.
J.Biol.Chem., 290, 2015
4TX8
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BU of 4tx8 by Molmil
Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRATE ANION, ...
Authors:Pereira, H.M, Lobo, M.D.P, Brandao-Neto, J, Grangeiro, T.B.
Deposit date:2014-07-02
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum
To Be Published
8XGT
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BU of 8xgt by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
4U0Q
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BU of 4u0q by Molmil
Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to basigin
Descriptor: Basigin, Reticulocyte binding protein 5
Authors:Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K.
Deposit date:2014-07-14
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
5KTI
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BU of 5kti by Molmil
Structure of cow mincle complexed with KMJ1
Descriptor: 2,3-dimethoxybenzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ...
Authors:Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I.
Deposit date:2016-07-11
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
4U65
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BU of 4u65 by Molmil
Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in complex with Pseudomonas fluorescens LapG
Descriptor: CALCIUM ION, Putative cystine protease, Two component histidine kinase, ...
Authors:Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S.
Deposit date:2014-07-27
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP.
Elife, 3, 2014
4U6T
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BU of 4u6t by Molmil
Crystal structure of the Clostridium histolyticum colH collagenase polycystic kidney disease-like domain 2a at 1.76 Angstrom resolution
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ColH protein
Authors:Bauer, R, Janowska, K, Sakon, J, Matsushita, O, Latimer, E.
Deposit date:2014-07-29
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Acta Crystallogr.,Sect.D, 71, 2015
4U8E
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BU of 4u8e by Molmil
Crystal structure of 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase from Streptococcus agalactiae
Descriptor: Putative uncharacterized protein gbs1892
Authors:Maruyama, y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W.
Deposit date:2014-08-03
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE
J.Biol.Chem., 290, 2015
4U90
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BU of 4u90 by Molmil
GephE in complex with PEG crosslinked GABA receptor alpha3 subunit derived dimeric peptide
Descriptor: 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione), 1,4-BUTANEDIOL, Gamma-aminobutyric acid receptor subunit alpha-3, ...
Authors:Kasaragod, V.B, Maric, H.M, Schindelin, H.
Deposit date:2014-08-05
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors.
Angew.Chem.Int.Ed.Engl., 54, 2015
4U7K
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BU of 4u7k by Molmil
Crystal structure of the Clostridium histolyticum colH collagenase polycystic kidney disease-like domain 2a in the presence of calcium at 1.9 Angstrom resolution
Descriptor: CALCIUM ION, ColH protein
Authors:Bauer, R, Janowska, K, Sakon, J, Matsushita, O, Latimer, E.
Deposit date:2014-07-31
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Acta Crystallogr.,Sect.D, 71, 2015

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