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1JCA
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BU of 1jca by Molmil
Non-standard Design of Unstable Insulin Analogues with Enhanced Activity
Descriptor: ZINC ION, insulin a, insulin b
Authors:Weiss, M.A, Wan, Z, Zhao, M, Chu, Y.-C, Nakagawa, S.H, Burke, G.T, Jia, W, Hellmich, R, Katsoyannis, P.G.
Deposit date:2001-06-08
Release date:2001-06-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
5PGZ
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BU of 5pgz by Molmil
CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336)
Descriptor: 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
8G9B
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BU of 8g9b by Molmil
Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:O'Neill, A.G, Kollman, J.M.
Deposit date:2023-02-21
Release date:2023-04-19
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
3UK9
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BU of 3uk9 by Molmil
Galactose-specific lectin from Dolichos lablab
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K.
Deposit date:2011-11-09
Release date:2012-11-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
8G8F
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BU of 8g8f by Molmil
Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
Authors:O'Neill, A.G, Kollman, J.M.
Deposit date:2023-02-17
Release date:2023-04-19
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
4RUZ
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BU of 4ruz by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-ethoxybenzenesulfonamide
Descriptor: 4-ethoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4RVT
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BU of 4rvt by Molmil
MAP4K4 in complex with a pyridin-2(1H)-one derivative
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Richters, A, Becker, C, Kleine, S, Rauh, D.
Deposit date:2014-11-27
Release date:2015-05-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4.
Angew.Chem.Int.Ed.Engl., 54, 2015
1WB6
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BU of 1wb6 by Molmil
S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with vanillate
Descriptor: ACETATE ION, CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y, ...
Authors:Tarbouriech, N, Prates, J.A, Fontes, C, Davies, G.J.
Deposit date:2004-10-30
Release date:2006-05-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Determinants of Substrate Specificity in the Feruloyl Esterase Module of Xylanase 10B from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 61, 2005
2ZQM
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BU of 2zqm by Molmil
Crystal structure of the prefoldin beta subunit from Thermococcus strain KS-1
Descriptor: CITRIC ACID, GLYCEROL, Prefoldin beta subunit 1
Authors:Kida, H, Miki, K.
Deposit date:2008-08-13
Release date:2008-08-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and molecular characterization of the prefoldin beta subunit from Thermococcus strain KS-1
J.Mol.Biol., 383, 2008
5U0Z
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BU of 5u0z by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative
Descriptor: (2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid, Dihydropteroate synthase
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
1PS5
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BU of 1ps5 by Molmil
STRUCTURE OF THE MONOCLINIC C2 FORM OF HEN EGG-WHITE LYSOZYME AT 2.0 ANGSTROMS RESOLUTION
Descriptor: Lysozyme C, SULFATE ION
Authors:Majeed, S, Ofek, G, Belachew, A, Huang, C, Zhou, T, Kwong, P.D.
Deposit date:2003-06-20
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enhancing Protein Crystallization through Precipitant Synergy
Structure, 11, 2003
5LXS
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BU of 5lxs by Molmil
Tubulin-KS-1-199-32 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Steinmetz, M.O.
Deposit date:2016-09-22
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of Microtubule Stabilization by Discodermolide.
Chembiochem, 18, 2017
2ZLB
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BU of 2zlb by Molmil
Crystal structure of APO form of rat catechol-O-methyltransferase
Descriptor: Catechol O-methyltransferase, SULFATE ION
Authors:Tsuji, E.
Deposit date:2008-04-04
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the Apo and Holo form of rat catechol-O-methyltransferase
J.Struct.Biol., 165, 2009
7JGT
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BU of 7jgt by Molmil
Crystal Structure of FN3tt
Descriptor: Fibronectin type-III domain-containing protein
Authors:Luo, J, Malia, T.J.
Deposit date:2020-07-19
Release date:2021-07-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Surface salt bridges contribute to the extreme thermal stability of an FN3-like domain from a thermophilic bacterium.
Proteins, 90, 2022
4ZAM
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BU of 4zam by Molmil
Crystal structure of SHV-1 beta-lactamase bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Krishnan, N, van den Akker, F.
Deposit date:2015-04-13
Release date:2016-01-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Inhibition of Klebsiella beta-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study.
Plos One, 10, 2015
1J9T
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BU of 1j9t by Molmil
Crystal structure of nitrite soaked reduced H255N AFNIR
Descriptor: COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION
Authors:Boulanger, M.J, Murphy, M.E.
Deposit date:2001-05-28
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate
Biochemistry, 40, 2001
8GA2
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BU of 8ga2 by Molmil
Bromodomain of CBP liganded with inhibitor iCBP5
Descriptor: (6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-02-22
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
1MOE
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BU of 1moe by Molmil
The three-dimensional structure of an engineered scFv T84.66 dimer or diabody in VL to VH linkage.
Descriptor: SULFATE ION, anti-CEA mAb T84.66
Authors:Carmichael, J.A, Power, B.E, Garrett, T.P.J, Yazaki, P.J, Shively, J.E, Raubischek, A.A, Wu, A.M, Hudson, P.J.
Deposit date:2002-09-09
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of an Anti-CEA scFv Diabody Assembled from T84.66 scFvs in VL-to-VH Orientation: Implications for Diabody Flexibility
J.Mol.Biol., 326, 2003
1UNX
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BU of 1unx by Molmil
Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R.
Deposit date:2003-09-15
Release date:2004-10-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
1UOR
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BU of 1uor by Molmil
X-RAY STUDY OF RECOMBINANT HUMAN SERUM ALBUMIN. PHASES DETERMINED BY MOLECULAR REPLACEMENT METHOD, USING LOW RESOLUTION STRUCTURE MODEL OF TETRAGONAL FORM OF HUMAN SERUM ALBUMIN
Descriptor: SERUM ALBUMIN
Authors:Carter, D.C, Ho, J.X.
Deposit date:1998-03-10
Release date:1998-05-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Atomic structure and chemistry of human serum albumin.
Nature, 358, 1992
7Y4S
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BU of 7y4s by Molmil
Structure of human MG53 homo-dimer
Descriptor: Tripartite motif-containing protein 72
Authors:Chen, L, Niu, Y.
Deposit date:2022-06-16
Release date:2022-09-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of human MG53 homodimer.
Biochem.J., 479, 2022
408D
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BU of 408d by Molmil
STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA
Descriptor: DNA (5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3'), IMIDAZOLE-PYRROLE POLYAMIDE
Authors:Kielkopf, C.L, White, S, Szewczyk, J.W, Turner, J.M, Baird, E.E, Dervan, P.B, Rees, D.C.
Deposit date:1998-06-24
Release date:1998-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA.
Science, 282, 1998
3STM
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BU of 3stm by Molmil
Structure of human LFABP in complex with one molecule of palmitic acid
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Sharma, A, Sharma, A.
Deposit date:2011-07-11
Release date:2011-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.216 Å)
Cite:Fatty acid induced remodeling within the Human liver fatty acid binding protein
J.Biol.Chem., 2011
4ZBE
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BU of 4zbe by Molmil
Crystal structure of KPC-2 beta-lactamase complexed with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:Nguyen, N.Q, van den Akker, F.
Deposit date:2015-04-14
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Klebsiella beta-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study.
Plos One, 10, 2015
3NDJ
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BU of 3ndj by Molmil
X-ray Structure of a C-3'-Methyltransferase in Complex with S-Adenosyl-L-Homocysteine and Sugar Product
Descriptor: (2R,4S,6R)-4-amino-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), Methyltransferase, PHOSPHATE ION, ...
Authors:Bruender, N.A, Thoden, J.B, Kaur, M, Avey, M.K, Holden, H.M.
Deposit date:2010-06-07
Release date:2010-06-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular Architecture of a C-3'-Methyltransferase Involved in the Biosynthesis of d-Tetronitrose.
Biochemistry, 49, 2010

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