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5O2X
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BU of 5o2x by Molmil
Extended catalytic domain of H. jecorina LPMO9A a.k.a EG4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Glycoside hydrolase family 61, ...
Authors:Hansson, H, Karkehabadi, S, Mikkelsen, N.E, Sandgren, M, Kelemen, B, Kaper, T.
Deposit date:2017-05-23
Release date:2017-09-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:High-resolution structure of a lytic polysaccharide monooxygenase from Hypocrea jecorina reveals a predicted linker as an integral part of the catalytic domain.
J. Biol. Chem., 292, 2017
6S9Z
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BU of 6s9z by Molmil
Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to fragment
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-07-15
Release date:2020-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
6SAY
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BU of 6say by Molmil
Human Carbonic Anhydrase II in complex with fragment.
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, (8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-07-18
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
1WY3
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BU of 1wy3 by Molmil
Chicken villin subdomain HP-35, K65(NLE), N68H, pH7.0
Descriptor: Villin
Authors:Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R.
Deposit date:2005-02-04
Release date:2005-05-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
6YIV
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BU of 6yiv by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: Cationic trypsin, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-04-01
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
5MEH
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BU of 5meh by Molmil
Crystal structure of alpha-1,2-mannosidase from Caulobacter K31 strain in complex with 1-deoxymannojirimycin
Descriptor: 1-DEOXYMANNOJIRIMYCIN, ACETATE ION, CALCIUM ION, ...
Authors:Males, A, Davies, G.J.
Deposit date:2016-11-14
Release date:2016-12-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Conformational Behaviour of Azasugars Based on Mannuronic Acid.
Chembiochem, 18, 2017
1HJ9
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BU of 1hj9 by Molmil
Atomic resolution structures of trypsin provide insight into structural radiation damage
Descriptor: ANILINE, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Leiros, H.-K.S, McSweeney, S.M, Smalas, A.O.
Deposit date:2001-01-10
Release date:2002-01-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Atomic Resolution Structure of Trypsin Provide Insight Into Structural Radiation Damage
Acta Crystallogr.,Sect.D, 57, 2001
5AVG
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BU of 5avg by Molmil
The 0.95 angstrom structure of thaumatin crystallized in high-strength agarose hydrogel
Descriptor: Thaumatin-1
Authors:Sugiyama, S, Shimizu, N, Maruyama, M, Sazaki, G, Hirose, M, Adachi, H, Takano, K, Murakami, S, Inoue, T, Mori, Y, Matsumura, H.
Deposit date:2015-06-16
Release date:2015-07-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Growth of protein crystals in hydrogels prevents osmotic shock
J.Am.Chem.Soc., 134, 2012
2FLA
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BU of 2fla by Molmil
Structure of thereduced HiPIP from thermochromatium tepidum at 0.95 angstrom resolution
Descriptor: GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ...
Authors:Hunsicker-Wang, L.M, Stout, C.D, Fee, J.A.
Deposit date:2006-01-05
Release date:2006-12-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of HiPIP: a geometric, crystallographic, and theoretical study.
To be Published
4O6Q
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BU of 4o6q by Molmil
0.95A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (Y75A mutant)
Descriptor: FORMIC ACID, HasAp, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M.
Deposit date:2013-12-23
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
4A02
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BU of 4a02 by Molmil
X-ray crystallographic structure of EfCBM33A
Descriptor: CHITIN BINDING PROTEIN
Authors:Vaaje-Kolstad, G, Bohle, L.A, Gaseidnes, S, Dalhus, B, Bjoras, M, Mathiesen, G, Eijsink, V.G.H.
Deposit date:2011-09-07
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Characterization of the Chitinolytic Machinery of Enterococcus Faecalis V583 and High Resolution Structure of its Oxidative Cbm33 Enzyme
J.Mol.Biol., 416, 2012
4A8I
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BU of 4a8i by Molmil
Protein crystallization and microgravity: glucose isomerase crystals grown during the PCDF-PROTEIN mission
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, XYLOSE ISOMERASE
Authors:Decanniere, K, Patino-Lopez, L.-D, Sleutel, M, Evrard, C, Van De Weerdt, C, Haumont, E, Gavira, J.A, Otalora, F, Maes, D.
Deposit date:2011-11-21
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Protein Crystallization and Microgravity: Glucose Isomerase Crystals Grown During the Pcdf-Protein Mission
To be Published
5ZGY
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BU of 5zgy by Molmil
Crystal structure of NDM-1 at pH7.5 (Bis-Tris) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
6RQI
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BU of 6rqi by Molmil
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-fluorobenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-05-15
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
3VN3
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BU of 3vn3 by Molmil
Fungal antifreeze protein exerts hyperactivity by constructing an inequable beta-helix
Descriptor: 1,2-ETHANEDIOL, Antifreeze protein
Authors:Kondo, H, Xiao, N, Hanada, Y, Sugimoto, H, Hoshino, T, Garnham, C.P, Davies, P.L, Tsuda, S.
Deposit date:2011-12-21
Release date:2012-06-06
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Ice-binding site of snow mold fungus antifreeze protein deviates from structural regularity and high conservation
Proc.Natl.Acad.Sci.USA, 109, 2012
6SBH
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BU of 6sbh by Molmil
Human Carbonic Anhydrase II in complex with 4-pentylbenzenesulfonamide.
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
Deposit date:2019-07-20
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
5ZGL
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BU of 5zgl by Molmil
hnRNP A1 segment GGGYGGS (residues 234-240)
Descriptor: 7-mer peptide from Heterogeneous nuclear ribonucleoprotein A1
Authors:Xie, M, Luo, F, Gui, X, Zhao, M, He, J, Li, D, Liu, C.
Deposit date:2018-03-09
Release date:2019-04-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
5ZGZ
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BU of 5zgz by Molmil
Crystal structure of NDM-1 at pH7.5 (Imidazole) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
6SBM
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BU of 6sbm by Molmil
Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentoxybenzenesulfonamide, CITRATE ANION, ...
Authors:Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
Deposit date:2019-07-21
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide
To Be Published
3LZ5
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BU of 3lz5 by Molmil
Human aldose reductase mutant T113V complexed with IDD594
Descriptor: Aldose Reductase, CITRIC ACID, IDD594, ...
Authors:Koch, C, Heine, A, Klebe, G.
Deposit date:2010-03-01
Release date:2010-12-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
7JX4
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BU of 7jx4 by Molmil
Crystal Structure of N-Lysine Peptoid-modified Collagen Triple Helix
Descriptor: Collagen mimetic peptide with N-Lysine guest
Authors:Yu, M.S, Whitby, F.G, Hill, C.P, Kessler, J.L, Yang, L.D.
Deposit date:2020-08-26
Release date:2021-07-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices.
J.Am.Chem.Soc., 143, 2021
1KTH
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BU of 1kth by Molmil
The Anisotropic Refinement Of Kunitz Type Domain C5 at 0.95 Angstrom
Descriptor: Collagen alpha 3(VI) chain, PHOSPHATE ION
Authors:Arnoux, B, Ducruix, A, Prange, T.
Deposit date:2002-01-16
Release date:2002-02-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Anisotropic behaviour of the C-terminal Kunitz-type domain of the alpha3 chain of human type VI collagen at atomic resolution (0.9 A).
Acta Crystallogr.,Sect.D, 58, 2002
5II6
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BU of 5ii6 by Molmil
Crystal structure of the ZP-N1 domain of mouse sperm receptor ZP2 at 0.95 A resolution
Descriptor: Zona pellucida sperm-binding protein 2
Authors:Dioguardi, E, Han, L, Nishimura, K, De Sanctis, D, Jovine, L.
Deposit date:2016-03-01
Release date:2017-06-14
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
7QQC
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BU of 7qqc by Molmil
Structure of CTX-M-15 K73A mutant
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-01-07
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
7QQ5
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BU of 7qq5 by Molmil
Structure of CTX-M-15 K73A mutant crystallised in the presence of enmetazobactam (AAI101)
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-01-06
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022

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