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4R9C
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BU of 4r9c by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.5, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
4R9A
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BU of 4r9a by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG4000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.197 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
4R9B
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BU of 4r9b by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
4RL7
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BU of 4rl7 by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.5, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-10-16
Release date:2015-03-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
6G1I
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BU of 6g1i by Molmil
GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and fructosylated cellopentaose
Descriptor: Glycosyl Hydrolase, MALONIC ACID, MANGANESE (II) ION, ...
Authors:Urresti, S, Davies, G.J, Walton, P.H.
Deposit date:2018-03-21
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Structural studies of the unusual metal-ion site of the GH124 endoglucanase from Ruminiclostridium thermocellum.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6TN1
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BU of 6tn1 by Molmil
Unliganded Crystal Structure of Recombinant GBA
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-12-05
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6G1G
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BU of 6g1g by Molmil
GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and cellotriose
Descriptor: Glycosyl Hydrolase, MANGANESE (II) ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Urresti, S, Davies, G.J, Walton, P.H.
Deposit date:2018-03-21
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Structural studies of the unusual metal-ion site of the GH124 endoglucanase from Ruminiclostridium thermocellum.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6TJQ
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BU of 6tjq by Molmil
Crystal Structure of Recombinant GBA in Complex with 2-Deoxy-2-fluoro-beta-D-glucopyranoside
Descriptor: (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TJK
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BU of 6tjk by Molmil
Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane.
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TJJ
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BU of 6tjj by Molmil
Structure of Cerezyme at pH 4.6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
8ILQ
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BU of 8ilq by Molmil
Structure of SFTSV Gn-Gc heterodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein
Authors:Du, S, Peng, R, Qi, J, Li, C.
Deposit date:2023-03-04
Release date:2023-09-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
8I4T
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BU of 8i4t by Molmil
Structure of the asymmetric unit of SFTSV virion
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein
Authors:Du, S, Peng, R, Qi, J, Li, C.
Deposit date:2023-01-21
Release date:2023-09-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
8CY8
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BU of 8cy8 by Molmil
apo form Cryo-EM structure of Campylobacter jejune ketol-acid reductoisommerase crosslinked by Glutaraldehyde
Descriptor: Ketol-acid reductoisomerase (NADP(+)), PENTANEDIAL
Authors:Zheng, S, Guddat, L.W.
Deposit date:2022-05-23
Release date:2023-02-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Enhancing the Thermal and Kinetic Stability of Ketol-Acid Reductoisomerase, a Central Catalyst of a Cell-Free Enzyme Cascade for the Manufacture of Platform Chemicals
Appl Biosci, 2022
5GGZ
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BU of 5ggz by Molmil
Crystal structure of novel inhibitor bound with Hsp90
Descriptor: Heat shock protein HSP 90-alpha, [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone
Authors:Chen, T.T, Li, J, Xu, Y.C.
Deposit date:2016-06-16
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90
J. Med. Chem., 59, 2016
3FVH
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BU of 3fvh by Molmil
Polo-like kinase 1 Polo box domain in complex with Ac-LHSpTA-NH2 peptide
Descriptor: Acetyl-Leu-His-Ser-phosphoThr-Ala-NH2 peptide, Serine/threonine-protein kinase PLK1
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2009-01-15
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1
Nat.Struct.Mol.Biol., 16, 2009
3HIH
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BU of 3hih by Molmil
Structure of human Plk1-PBD with glycerol and sulfate in the phophopeptide binding site
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Wlodawer, A, Moulaei, T.
Deposit date:2009-05-20
Release date:2009-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1.
Nat.Struct.Mol.Biol., 16, 2009
3HIK
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BU of 3hik by Molmil
Structure of human Plk1-PBD in complex with PLHSpT
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Pentamer phosphopeptide, ...
Authors:Wlodawer, A, Moulaei, T.
Deposit date:2009-05-20
Release date:2009-06-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1.
Nat.Struct.Mol.Biol., 16, 2009
8AYH
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BU of 8ayh by Molmil
Structure of Complement C5 in Complex with small molecule inhibitor and CVF
Descriptor: 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid, Cobra venom factor, Complement C5 alpha chain, ...
Authors:Srinivas, H.
Deposit date:2022-09-02
Release date:2022-12-21
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:A small-molecule inhibitor of C5 complement protein.
Nat.Chem.Biol., 15, 2019
3B7V
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BU of 3b7v by Molmil
HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate NLLTQI
Descriptor: CHLORIDE ION, GLYCEROL, Protease, ...
Authors:Kovalevsky, A.Y, Chumanevich, A.A, Weber, I.T.
Deposit date:2007-10-31
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate.
Biochemistry, 46, 2007
3B80
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BU of 3b80 by Molmil
HIV-1 protease mutant I54V complexed with gem-diol-amine intermediate NLLTQI
Descriptor: CHLORIDE ION, Protease, SODIUM ION, ...
Authors:Chumanevich, A.A, Kovalevsky, A.Y, Weber, I.T.
Deposit date:2007-10-31
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate.
Biochemistry, 46, 2007
7C2K
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BU of 7c2k by Molmil
COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ...
Authors:Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
Deposit date:2020-05-07
Release date:2020-06-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
6A52
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BU of 6a52 by Molmil
Oxidase ChaP-H1
Descriptor: FE (II) ION, dioxidase ChaP-H1
Authors:Zhang, B, Ge, H.M.
Deposit date:2018-06-21
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
6LDZ
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BU of 6ldz by Molmil
Crystal structure of Rv0222 from Mycobacterium tuberculosis
Descriptor: Probable enoyl-CoA hydratase EchA1 (Enoyl hydrase) (Unsaturated acyl-CoA hydratase) (Crotonase)
Authors:Li, J, Ran, Y.J, Wang, L, Wu, J.H, Ge, B.X, Rao, Z.H.
Deposit date:2019-11-23
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Host-mediated ubiquitination of a mycobacterial protein suppresses immunity.
Nature, 577, 2020
6A4X
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BU of 6a4x by Molmil
Oxidase ChaP-H2
Descriptor: Bleomycin resistance protein, FE (II) ION
Authors:Zhang, B, Wang, Y.S, Ge, H.M.
Deposit date:2018-06-21
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
6A4Z
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BU of 6a4z by Molmil
Oxidase ChaP
Descriptor: ChaP protein, FE (II) ION
Authors:Zhang, B, Ge, H.M.
Deposit date:2018-06-21
Release date:2018-08-29
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018

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