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1NBM
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BU of 1nbm by Molmil
THE STRUCTURE OF BOVINE F1-ATPASE COVALENTLY INHIBITED WITH 4-CHLORO-7-NITROBENZOFURAZAN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, F1-ATPASE, ...
Authors:Orriss, G.L, Leslie, A.G.W, Braig, K, Walker, J.E.
Deposit date:1998-04-30
Release date:1998-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bovine F1-ATPase covalently inhibited with 4-chloro-7-nitrobenzofurazan: the structure provides further support for a rotary catalytic mechanism.
Structure, 6, 1998
4XUR
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BU of 4xur by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotetraose
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-xylopyranose, ...
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
4XUQ
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BU of 4xuq by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotriose
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-xylopyranose, ...
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
3LJ9
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BU of 3lj9 by Molmil
X-ray structure of the iron superoxide dismutase from pseudoalteromonas haloplanktis in complex with sodium azide
Descriptor: AZIDE ION, FE (III) ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ...
Authors:Merlino, A, Russo Krauss, I, Rossi, B, Conte, M, Vergara, A, Sica, F.
Deposit date:2010-01-26
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and flexibility in cold-adapted iron superoxide dismutases: the case of the enzyme isolated from Pseudoalteromonas haloplanktis.
J.Struct.Biol., 172, 2010
4ADS
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BU of 4ads by Molmil
Crystal structure of plasmodial PLP synthase complex
Descriptor: PDX2 PROTEIN, PHOSPHATE ION, PYRIDOXINE BIOSYNTHETIC ENZYME PDX1 HOMOLOGUE, ...
Authors:Guedez, G, Sinning, I, Tews, I.
Deposit date:2012-01-03
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Assembly of the Eukaryotic Plp-Synthase Complex from Plasmodium and Activation of the Pdx1 Enzyme.
Structure, 20, 2012
2R4F
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BU of 2r4f by Molmil
Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors
Descriptor: (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
Deposit date:2007-08-31
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia.
J.Med.Chem., 51, 2008
3I97
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BU of 3i97 by Molmil
B1 domain of human Neuropilin-1 bound with small molecule EG00229
Descriptor: (S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid, GLYCEROL, Neuropilin-1
Authors:Allerston, C.K, Djordjevic, S.
Deposit date:2009-07-10
Release date:2010-03-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Small molecule inhibitors of the neuropilin-1 vascular endothelial growth factor A (VEGF-A) interaction.
J.Med.Chem., 53, 2010
8E2B
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BU of 8e2b by Molmil
N-terminal domain of S. aureus GpsB
Descriptor: Cell cycle protein GpsB, GLYCEROL
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-14
Release date:2023-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Staphylococcus aureus FtsZ and PBP4 bind to the conformationally dynamic N-terminal domain of GpsB.
Elife, 13, 2024
4XUO
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BU of 4xuo by Molmil
Structure of the CBM22-1 xylan-binding domain from Paenibacillus barcinonensis Xyn10C
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
4XUT
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BU of 4xut by Molmil
Structure of the CBM22-2 xylan-binding domain in complex with 1,3:1,4 Beta-glucotetraose B from Paenibacillus barcinonensis Xyn10C
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
8E2C
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BU of 8e2c by Molmil
N-terminal domain of S. aureus GpsB in complex with PBP4 fragment
Descriptor: Cell cycle protein GpsB, PBP4
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-14
Release date:2023-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Staphylococcus aureus FtsZ and PBP4 bind to the conformationally dynamic N-terminal domain of GpsB.
Elife, 13, 2024
2JB2
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BU of 2jb2 by Molmil
The structure of L-amino acid oxidase from Rhodococcus opacus in complex with L-phenylalanine.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, L-AMINO ACID OXIDASE, PHENYLALANINE
Authors:Faust, A, Niefind, K, Hummel, W, Schomburg, D.
Deposit date:2006-12-01
Release date:2007-01-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Structure of a Bacterial L-Amino Acid Oxidase from Rhodococcus Opacus Gives New Evidence for the Hydride Mechanism for Dehydrogenation
J.Mol.Biol., 367, 2007
2JB1
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BU of 2jb1 by Molmil
The L-amino acid oxidase from Rhodococcus opacus in complex with L- alanine
Descriptor: ALANINE, FLAVIN-ADENINE DINUCLEOTIDE, L-AMINO ACID OXIDASE
Authors:Faust, A, Niefind, K, Hummel, W, Schomburg, D.
Deposit date:2006-12-01
Release date:2007-01-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Structure of a Bacterial L-Amino Acid Oxidase from Rhodococcus Opacus Gives New Evidence for the Hydride Mechanism for Dehydrogenation
J.Mol.Biol., 367, 2007
3LIO
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BU of 3lio by Molmil
X-ray structure of the iron superoxide dismutase from pseudoalteromonas haloplanktis (crystal form I)
Descriptor: FE (III) ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, iron superoxide dismutase
Authors:Merlino, A, Russo Krauss, I, Rossi, B, Conte, M, Vergara, A, Sica, F.
Deposit date:2010-01-25
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and flexibility in cold-adapted iron superoxide dismutases: the case of the enzyme isolated from Pseudoalteromonas haloplanktis.
J.Struct.Biol., 172, 2010
1HCW
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BU of 1hcw by Molmil
23-RESIDUE DESIGNED METAL-FREE PEPTIDE BASED ON THE ZINC FINGER DOMAINS, NMR, 35 STRUCTURES
Descriptor: BBA1
Authors:Imperiali, B, Struthers, M, Cheng, R.P.
Deposit date:1996-09-20
Release date:1997-03-12
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Design of a monomeric 23-residue polypeptide with defined tertiary structure.
Science, 271, 1996
4DBU
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BU of 4dbu by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid
Descriptor: 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M.
Deposit date:2012-01-16
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.528 Å)
Cite:Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
4XUP
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BU of 4xup by Molmil
Structure of the N-terminal CBM22-1-CBM22-2 tandem domain from Paenibacillus barcinonensis Xyn10C
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C, GLYCEROL
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
6Y9M
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BU of 6y9m by Molmil
Crystal structure of TSWV glycoprotein N ectodomain (sGn)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, PHOSPHATE ION, ...
Authors:Dessau, M, Bahat, Y.
Deposit date:2020-03-10
Release date:2020-09-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of tomato spotted wilt virus G N reveals a dimer complex formation and evolutionary link to animal-infecting viruses
Proc.Natl.Acad.Sci.USA, 117, 2020
8EGU
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BU of 8egu by Molmil
Branched chain ketoacid dehydrogenase kinase complexes
Descriptor: (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
Authors:Liu, S.
Deposit date:2022-09-13
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.923 Å)
Cite:Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
8EGF
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BU of 8egf by Molmil
Branched chain ketoacid dehydrogenase kinase in complex with inhibitor
Descriptor: (5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole, ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, ...
Authors:Liu, S.
Deposit date:2022-09-12
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
1CRJ
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BU of 1crj by Molmil
THE ROLE OF A CONSERVED INTERNAL WATER MOLECULE AND ITS ASSOCIATED HYDROGEN BOND NETWORK IN CYTOCHROME C
Descriptor: CYTOCHROME C, HEME C, SULFATE ION
Authors:Berghuis, A.M, Brayer, G.D.
Deposit date:1993-08-06
Release date:1994-01-31
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The role of a conserved internal water molecule and its associated hydrogen bond network in cytochrome c.
J.Mol.Biol., 236, 1994
4XUN
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BU of 4xun by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
1GWO
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BU of 1gwo by Molmil
Recombinant horseradish peroxidase C1A ALA170GLN
Descriptor: ACETATE ION, CALCIUM ION, PEROXIDASE C1A, ...
Authors:Henriksen, A, Brissett, N, Gajhede, M.
Deposit date:2002-03-20
Release date:2003-03-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Hrpc Heme Crevice Architecture
To be Published
1GX2
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BU of 1gx2 by Molmil
Recombinant horseradish peroxidase Phe209Ser complex with benzhydroxamic acid
Descriptor: BENZHYDROXAMIC ACID, CALCIUM ION, PEROXIDASE C1A, ...
Authors:Meno, K, Gajhede, M, Henriksen, A.
Deposit date:2002-03-26
Release date:2003-03-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Hrpc Heme Crevice Architecture
To be Published
4ADT
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BU of 4adt by Molmil
Crystal structure of plasmodial PLP synthase
Descriptor: PHOSPHATE ION, PYRIDOXINE BIOSYNTHETIC ENZYME PDX1 HOMOLOGUE, PUTATIVE
Authors:Guedez, G, Sinning, I, Tews, I.
Deposit date:2012-01-03
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Assembly of the Eukaryotic Plp-Synthase Complex from Plasmodium and Activation of the Pdx1 Enzyme.
Structure, 20, 2012

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