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3EUX
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BU of 3eux by Molmil
Crystal Structure of Crosslinked Ribonuclease A
Descriptor: Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV4
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BU of 3ev4 by Molmil
Crystal Structure of Ribonuclease A in 50% Trifluoroethanol
Descriptor: Ribonuclease pancreatic, TRIFLUOROETHANOL
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EUZ
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BU of 3euz by Molmil
Crystal Structure of Ribonuclease A in 50% Dimethylformamide
Descriptor: DIMETHYLFORMAMIDE, Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV1
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BU of 3ev1 by Molmil
Crystal Structure of Ribonuclease A in 70% Hexanediol
Descriptor: HEXANE-1,6-DIOL, Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV2
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BU of 3ev2 by Molmil
Crystal Structure of Ribonuclease A in 70% Isopropanol
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV5
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BU of 3ev5 by Molmil
Crystal Structure of Ribonuclease A in 1M Trimethylamine N-Oxide
Descriptor: Ribonuclease pancreatic, trimethylamine oxide
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
7PH1
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BU of 7ph1 by Molmil
Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Dimos, N, Leppkes, J, Koksch, B, Loll, B.
Deposit date:2021-08-16
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment.
J.Phys.Chem.B, 126, 2022
9GLY
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BU of 9gly by Molmil
Structure of an ancestral laccase from Agaricales fungi
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Medrano, F.J.
Deposit date:2024-08-28
Release date:2025-09-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structure of an ancestral laccase
To Be Published
4WEP
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BU of 4wep by Molmil
Apo YehZ from Escerichia coli
Descriptor: Putative osmoprotectant uptake system substrate-binding protein OsmF
Authors:Kimber, M.S, Lang, S, Mendoza, K, Wood, J.M.
Deposit date:2014-09-10
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:YehZYXW of Escherichia coli Is a Low-Affinity, Non-Osmoregulatory Betaine-Specific ABC Transporter.
Biochemistry, 54, 2015
7O07
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BU of 7o07 by Molmil
14-3-3sigma covalently bound to peptide (chloroacetamide-Cys interaction)
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, Transcriptional coactivator YAP1
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2021-03-25
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Covalent flexible peptide docking in Rosetta.
Chem Sci, 12, 2021
4WJX
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BU of 4wjx by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution
Descriptor: Chitotriosidase-1, L(+)-TARTARIC ACID
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-01
Release date:2015-07-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM
Acta Crystallogr.,Sect.D, 71, 2015
4WEV
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BU of 4wev by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and sulindac
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Crespo, I, Porte, S, Pares, X, Farres, J, Podjarny, A.
Deposit date:2014-09-11
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.453 Å)
Cite:Structural analysis of sulindac as an inhibitor of aldose reductase and AKR1B10.
Chem.Biol.Interact., 234, 2015
4WKA
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BU of 4wka by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 A resolution
Descriptor: Chitotriosidase-1, L(+)-TARTARIC ACID
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-02
Release date:2015-07-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
6TO0
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BU of 6to0 by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 2(3)-alpha-L-arabinofuranosyl-xylotriose.
Descriptor: GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, alpha-L-arabinofuranose-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-11
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
4WU0
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BU of 4wu0 by Molmil
Structural Analysis of C. acetobutylicum ATCC 824 Glycoside Hydrolase From Family 105
Descriptor: Similar to yteR (Bacilus subtilis)
Authors:Germane, K.L, Servinsky, M.D, Gerlach, E.S, Sund, C.J, Hurley, M.M.
Deposit date:2014-10-30
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of Clostridium acetobutylicum ATCC 824 glycoside hydrolase from CAZy family GH105.
Acta Crystallogr.,Sect.F, 71, 2015
6TOW
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BU of 6tow by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylotetraose.
Descriptor: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-12
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
7PJD
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BU of 7pjd by Molmil
The X-ray structure of juvenile hormone diol kinase from the silk worm Bombyx mori.
Descriptor: CALCIUM ION, Juvenile hormone diol kinase
Authors:Guo, J, Cooper, J, Keegan, R.M.
Deposit date:2021-08-23
Release date:2021-12-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The X-ray structure of juvenile hormone diol kinase from the silkworm Bombyx mori.
Acta Crystallogr.,Sect.F, 77, 2021
6TRH
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BU of 6trh by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 3(3)-alpha-L-arabinofuranosyl-xylotetraose.
Descriptor: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, alpha-L-arabinofuranose-(1-3)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-18
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
4WAK
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BU of 4wak by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, POTASSIUM ION, ...
Authors:Hoffmann, K.M, Rowlett, R.S.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
4WAM
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BU of 4wam by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A/P48S/A49P
Descriptor: PHOSPHATE ION, ZINC ION, beta-carbonic anhydrase
Authors:Rowlett, R.S, Hoffman, K.M.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
9FWW
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BU of 9fww by Molmil
Human NKp30 in complex with a VHH variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Natural cytotoxicity triggering receptor 3, VHH, ...
Authors:Musil, D, Freire, F.
Deposit date:2024-07-01
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:On the humanization of VHHs: Prospective case studies, experimental and computational characterization of structural determinants for functionality.
Protein Sci., 33, 2024
3DV2
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BU of 3dv2 by Molmil
Crystal Structure of nicotinic acid mononucleotide adenylyltransferase from Bacillus anthracis
Descriptor: Nicotinate (Nicotinamide) nucleotide adenylyltransferase, SULFATE ION
Authors:Lu, S, Smith, C.D, Yang, Z, Pruett, P.S, Nagy, L, McCombs, D.P, DeLucas, L.J, Brouillette, W.J, Brouillette, C.G.
Deposit date:2008-07-18
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of nicotinic acid mononucleotide adenylyltransferase from Bacillus anthracis.
ACTA CRYSTALLOGR.,SECT.F, 64, 2008
7P8O
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BU of 7p8o by Molmil
Crystal structure of D-aminoacid transaminase from Haliscomenobacter hydrossis in its intermediate form
Descriptor: Aminotransferase class IV, MAGNESIUM ION, SULFATE ION
Authors:Matyuta, I.O, Boyko, K.M, Bakunova, A.K, Nikolaeva, A.Y, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O.
Deposit date:2021-07-23
Release date:2022-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Incorporation of pyridoxal-5'-phosphate into the apoenzyme: A structural study of D-amino acid transaminase from Haliscomenobacter hydrossis.
Biochim Biophys Acta Proteins Proteom, 1873, 2024
1FYU
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BU of 1fyu by Molmil
Crystal structure of erythrina corallodendron lectin in hexagonal crystal form
Descriptor: CALCIUM ION, LECTIN, MANGANESE (II) ION, ...
Authors:Elgavish, S, Shaanan, B.
Deposit date:2000-10-03
Release date:2000-10-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Chemical characteristics of dimer interfaces in the legume lectin family.
Protein Sci., 10, 2001
3FSJ
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BU of 3fsj by Molmil
Crystal structure of benzoylformate decarboxylase in complex with the inhibitor MBP
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, CALCIUM ION
Authors:Brandt, G.S, Kenyon, G.L, McLeish, M.J, Jordan, F, Petsko, G.A, Ringe, D.
Deposit date:2009-01-09
Release date:2009-01-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Snapshot of a reaction intermediate: analysis of benzoylformate decarboxylase in complex with a benzoylphosphonate inhibitor.
Biochemistry, 48, 2009

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数据于2025-12-03公开中

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