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4I7P
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BU of 4i7p by Molmil
T4 Lysozyme L99A/M102H with 4-bromoimidazole bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, 4-bromo-1H-imidazole, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
5DN1
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BU of 5dn1 by Molmil
Crystal structure of Phosphoribosyl isomerase A from Streptomyces coelicolor
Descriptor: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, GLYCEROL, Phosphoribosyl isomerase A, ...
Authors:Chang, C, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-09-09
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
8A5X
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BU of 8a5x by Molmil
Crystal structure of phosphatidyl inositol 4-kinase II beta in complex with MM1373
Descriptor: 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide, Phosphatidylinositol 4-kinase type 2-beta,Endolysin
Authors:Klima, M, Boura, E.
Deposit date:2022-06-16
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design and modular synthesis of novel PI4K class II inhibitors bearing a 4-aminoquinazoline scaffold.
Bioorg.Med.Chem.Lett., 76, 2022
5DZV
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BU of 5dzv by Molmil
Protocadherin alpha 7 extracellular cadherin domains 1-5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdha7, ...
Authors:Goodman, K.M, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2015-09-26
Release date:2016-05-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
4I7Q
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BU of 4i7q by Molmil
T4 Lysozyme L99A/M102H with 4-trifluoromethylimidazole bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, 5-(trifluoromethyl)-1H-imidazole, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
3UXL
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BU of 3uxl by Molmil
P. putida mandelate racemase co-crystallized with the intermediate analogue cupferron
Descriptor: 1-hydroxy-2-oxo-1-phenylhydrazine, MAGNESIUM ION, Mandelate racemase
Authors:Lietzan, A.D, Pellmann, E, St Maurice, M.
Deposit date:2011-12-05
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structure of mandelate racemase with bound intermediate analogues benzohydroxamate and cupferron.
Biochemistry, 51, 2012
5EUH
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BU of 5euh by Molmil
Crystal structure of the c-di-GMP-bound GGDEF domain of P. fluorescens GcbC
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative GGDEF domain membrane protein, SULFATE ION
Authors:Giglio, K.M, Cooley, R.B, Sondermann, H.
Deposit date:2015-11-18
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.989 Å)
Cite:Contribution of Physical Interactions to Signaling Specificity between a Diguanylate Cyclase and Its Effector.
Mbio, 6, 2015
4I7L
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BU of 4i7l by Molmil
T4 Lysozyme L99A/M102H with phenol bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
7GSB
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BU of 7gsb by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000438a
Descriptor: 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
2BAM
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BU of 2bam by Molmil
RESTRICTION ENDONUCLEASE BAMHI COMPLEX WITH DNA AND CALCIUM IONS (PRE-REACTIVE COMPLEX).
Descriptor: CALCIUM ION, DNA (5'-D(*TP*AP*TP*GP*GP*AP*TP*CP*CP*AP*TP*A)-3'), PROTEIN (ENDONUCLEASE BAMHI)
Authors:Viadiu, H, Aggarwal, A.K.
Deposit date:1998-08-19
Release date:1999-10-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of metals in catalysis by the restriction endonuclease BamHI.
Nat.Struct.Biol., 5, 1998
7ZNM
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BU of 7znm by Molmil
Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 2.01 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Artificial Unspecific Peroxygenase, ...
Authors:Robinson, W.X.Q, Mielke, T, Grogan, G.
Deposit date:2022-04-21
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
7ZNV
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BU of 7znv by Molmil
Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 1.21 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Robinson, W.X.Q, Mielke, T, Grogan, G.
Deposit date:2022-04-22
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
7ZNW
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BU of 7znw by Molmil
Artificial Unspecific Peroxygenase expressed in Escherichia coli at 2.09 Angstrom resolution
Descriptor: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, artificial unspecific peoxygenase
Authors:Robinson, W.X.Q, Mielke, T, Grogan, G.
Deposit date:2022-04-22
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
3UXK
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BU of 3uxk by Molmil
P. putida mandelate racemase co-crystallized with the intermediate analogue benzohydroxamate
Descriptor: BENZHYDROXAMIC ACID, MAGNESIUM ION, Mandelate racemase
Authors:Lietzan, A.D, Pellmann, E, St Maurice, M.
Deposit date:2011-12-05
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structure of mandelate racemase with bound intermediate analogues benzohydroxamate and cupferron.
Biochemistry, 51, 2012
5CY5
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BU of 5cy5 by Molmil
Crystal structure of the T33-51H designed self-assembling protein tetrahedron
Descriptor: T33-51H-A, T33-51H-B
Authors:Cannon, K.A, Cascio, D, Park, R, Boyken, S, King, N, Yeates, T.O.
Deposit date:2015-07-30
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
2HD6
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BU of 2hd6 by Molmil
Crystal structure of the human carbonic anhydrase II in complex with a hypoxia-activatable sulfonamide.
Descriptor: CHLORIDE ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:De Simone, G, Vitale, R.M, Di Fiore, A, Pedone, C.
Deposit date:2006-06-20
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX.
J.Med.Chem., 49, 2006
2GTU
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BU of 2gtu by Molmil
LIGAND-FREE HUMAN GLUTATHIONE S-TRANSFERASE M2-2 (E.C.2.5.1.18), MONOCLINIC CRYSTAL FORM
Descriptor: GLUTATHIONE S-TRANSFERASE
Authors:Patskovska, L.N, Fedorov, A.A, Patskovsky, Y.V, Almo, S.C, Listowsky, I.
Deposit date:1998-05-26
Release date:1999-03-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The enhanced affinity for thiolate anion and activation of enzyme-bound glutathione is governed by an arginine residue of human Mu class glutathione S-transferases.
J.Biol.Chem., 275, 2000
3OWV
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BU of 3owv by Molmil
Structural insights into catalytic and substrate binding mechanisms of the strategic EndA nuclease from Streptococcus pneumoniae
Descriptor: CHLORIDE ION, DNA-entry nuclease, MAGNESIUM ION
Authors:Moon, A.F, Midon, M, Meiss, G, Pingoud, A.M, London, R.E, Pedersen, L.C.
Deposit date:2010-09-20
Release date:2010-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into catalytic and substrate binding mechanisms of the strategic EndA nuclease from Streptococcus pneumoniae.
Nucleic Acids Res., 39, 2011
2J9N
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BU of 2j9n by Molmil
Robotically harvested Trypsin complexed with Benzamidine containing polypeptide mediated crystal contacts
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Viola, R, Carman, P, Walsh, J, Miller, E, Benning, M, Frankel, D, McPherson, A, Cudney, R, Rupp, B.
Deposit date:2006-11-14
Release date:2007-04-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Operator Assisted Harvesting of Protein Crystals Using a Universal Micromanipulation Robot.
J.Appl.Crystallogr., 40, 2007
5ESV
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BU of 5esv by Molmil
Crystal Structure of Broadly Neutralizing Antibody CH03, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade C Superinfecting Strain of Donor CAP256.
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Yang, M, Kwong, P.D.
Deposit date:2015-11-17
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.105 Å)
Cite:Structures of HIV-1 Env V1V2 with broadly neutralizing antibodies reveal commonalities that enable vaccine design.
Nat.Struct.Mol.Biol., 23, 2016
3P8M
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BU of 3p8m by Molmil
Human dynein light chain (DYNLL2) in complex with an in vitro evolved peptide dimerized by leucine zipper
Descriptor: Dynein light chain 2, General control protein GCN4
Authors:Rapali, P, Radnai, L, Suveges, D, Hetenyi, C, Harmat, V, Tolgyesi, F, Wahlgren, W.Y, Katona, G, Nyitray, L, Pal, G.
Deposit date:2010-10-14
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Directed evolution reveals the binding motif preference of the LC8/DYNLL hub protein and predicts large numbers of novel binders in the human proteome.
Plos One, 6, 2011
3VRE
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BU of 3vre by Molmil
The crystal structure of hemoglobin from woolly mammoth in the deoxy form
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta/delta hybrid, PROTOPORPHYRIN IX CONTAINING FE
Authors:Noguchi, H, Campbell, K.L, Ho, C, Park, S.-Y, Tame, J.R.H.
Deposit date:2012-04-09
Release date:2012-11-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of haemoglobin from woolly mammoth in liganded and unliganded states.
Acta Crystallogr.,Sect.D, 68, 2012
3VRG
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BU of 3vrg by Molmil
The crystal structure of hemoglobin from woolly mammoth in the met form
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta/delta hybrid, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Noguchi, H, Campbell, K.L, Ho, C, Park, S.-Y, Tame, J.R.H.
Deposit date:2012-04-09
Release date:2012-11-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of haemoglobin from woolly mammoth in liganded and unliganded states.
Acta Crystallogr.,Sect.D, 68, 2012
2WG5
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BU of 2wg5 by Molmil
Proteasome-Activating Nucleotidase (PAN) N-domain (57-134) from Archaeoglobus fulgidus fused to GCN4
Descriptor: GENERAL CONTROL PROTEIN GCN4, PROTEASOME-ACTIVATING NUCLEOTIDASE
Authors:Hartmann, M.D, Djuranovic, S, Ursinus, A, Zeth, K, Lupas, A.N.
Deposit date:2009-04-15
Release date:2009-04-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Activity of the N-Terminal Substrate Recognition Domains in Proteasomal Atpases.
Mol.Cell, 34, 2009
4I7S
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BU of 4i7s by Molmil
T4 Lysozyme L99A/M102H with 3-trifluoromethyl-5-methyl pyrazole bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, 5-methyl-3-(trifluoromethyl)-1H-pyrazole, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013

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數據於2024-09-18公開中

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