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2WVC
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BU of 2wvc by Molmil
Structural and mechanistic insights into Helicobacter pylori NikR function
Descriptor: FORMIC ACID, GLYCEROL, PUTATIVE NICKEL-RESPONSIVE REGULATOR, ...
Authors:Dian, C, Bahlawane, C, Muller, C, Round, A, Delay, C, Fauquant, C, Schauer, K, de Reuse, H, Michaud-Soret, I, Terradot, L.
Deposit date:2009-10-16
Release date:2010-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Mechanistic Insights Into Helicobacter Pylori Nikr Activation.
Nucleic Acids Res., 38, 2010
1GHR
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BU of 1ghr by Molmil
THE THREE-DIMENSIONAL STRUCTURES OF TWO PLANT BETA-GLUCAN ENDOHYDROLASES WITH DISTINCT SUBSTRATE SPECIFICITIES
Descriptor: 1,3-1,4-BETA-GLUCANASE
Authors:Varghese, J.N, Garrett, T.P.J.
Deposit date:1993-10-11
Release date:1994-11-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-dimensional structures of two plant beta-glucan endohydrolases with distinct substrate specificities.
Proc.Natl.Acad.Sci.USA, 91, 1994
3WAA
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BU of 3waa by Molmil
The nucleosome containing human H2A.Z.2
Descriptor: DNA (146-MER), Histone H2A.V, Histone H2B type 1-J, ...
Authors:Horikoshi, N, Sato, K, Shimada, K, Arimura, Y, Osakabe, A, Tachiwana, H, Iwasaki, W, Kagawa, W, Harata, M, Kimura, H, Kurumizaka, H.
Deposit date:2013-04-30
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural polymorphism in the L1 loop regions of human H2A.Z.1 and H2A.Z.2
Acta Crystallogr.,Sect.D, 69, 2013
1FXZ
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BU of 1fxz by Molmil
CRYSTAL STRUCTURE OF SOYBEAN PROGLYCININ A1AB1B HOMOTRIMER
Descriptor: GLYCININ G1
Authors:Adachi, M, Takenaka, Y, Gidamis, A.B, Mikami, B, Utsumi, S.
Deposit date:2000-09-28
Release date:2001-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of soybean proglycinin A1aB1b homotrimer.
J.Mol.Biol., 305, 2001
1CLP
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BU of 1clp by Molmil
CRYSTAL STRUCTURE OF A CALCIUM-INDEPENDENT PHOSPHOLIPASELIKE MYOTOXIC PROTEIN FROM BOTHROPS ASPER VENOM
Descriptor: MYOTOXIN II
Authors:Arni, R.K, Ward, R.J, Gutierrez, J.M, Tulinsky, A.
Deposit date:1994-09-12
Release date:1994-11-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a calcium-independent phospholipase-like myotoxic protein from Bothrops asper venom.
Acta Crystallogr.,Sect.D, 51, 1995
1CYB
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BU of 1cyb by Molmil
NMR STUDIES OF (U-13C)CYCLOSPORIN A BOUND TO CYCLOPHILIN: BOUND CONFORMATION AND PORTIONS OF CYCLOSPORIN INVOLVED IN BINDING
Descriptor: CYCLOSPORIN A
Authors:Fesik, S.W.
Deposit date:1992-02-24
Release date:1994-01-31
Last modified:2024-06-05
Method:SOLUTION NMR
Cite:NMR Studies of [U-13C]Cyclosporin a Bound to Cyclophilin: Bound Conformation and Portions of Cyclosporin Involved in Binding.
Biochemistry, 30, 1991
7QB2
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BU of 7qb2 by Molmil
Pim1 in complex with (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
Descriptor: 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2021-11-18
Release date:2022-11-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
1CJ2
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BU of 1cj2 by Molmil
MUTANT GLN34ARG OF PARA-HYDROXYBENZOATE HYDROXYLASE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
Authors:Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H.
Deposit date:1999-04-21
Release date:1999-04-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
1LTX
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BU of 1ltx by Molmil
Structure of Rab Escort Protein-1 in complex with Rab geranylgeranyl transferase and isoprenoid
Descriptor: AAAA, CHLORIDE ION, FARNESYL, ...
Authors:Pylypenko, O, Rak, A, Reents, R, Niculae, A, Thoma, N.H, Waldmann, H, Schlichting, I, Goody, R.S, Alexandrov, K.
Deposit date:2002-05-21
Release date:2003-05-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of Rab Escort Protein-1 in Complex with Rab Geranylgeranyltransferase
Mol.Cell, 11, 2003
1CIV
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BU of 1civ by Molmil
CHLOROPLAST NADP-DEPENDENT MALATE DEHYDROGENASE FROM FLAVERIA BIDENTIS
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-MALATE DEHYDROGENASE
Authors:Carr, P.D, Ashton, A.R, Verger, D, Ollis, D.L.
Deposit date:1999-04-01
Release date:2000-04-05
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Chloroplast NADP-malate dehydrogenase: structural basis of light-dependent regulation of activity by thiol oxidation and reduction.
Structure Fold.Des., 7, 1999
7QFM
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BU of 7qfm by Molmil
Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
Descriptor: 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2021-12-06
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
7QHA
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BU of 7qha by Molmil
Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Photobacterium profundum in amphipol
Descriptor: Megabody c7HopQ, Putative TRAP-type C4-dicarboxylate transport system, large permease component, ...
Authors:North, R.A, Davies, J.S, Morado, D, Dobson, R.C.J.
Deposit date:2021-12-11
Release date:2022-12-21
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
1CVM
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BU of 1cvm by Molmil
CADMIUM INHIBITED CRYSTAL STRUCTURE OF PHYTASE FROM BACILLUS AMYLOLIQUEFACIENS
Descriptor: CADMIUM ION, CALCIUM ION, PHYTASE
Authors:Shin, S, Ha, N.-C, Oh, B.-H.
Deposit date:1999-08-24
Release date:2000-02-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of a novel, thermostable phytase in partially and fully calcium-loaded states.
Nat.Struct.Biol., 7, 2000
1GB7
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BU of 1gb7 by Molmil
CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS
Descriptor: LYSOZYME, SODIUM ION
Authors:Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2000-06-26
Release date:2000-07-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions.
Biochemistry, 39, 2000
7QHD
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BU of 7qhd by Molmil
Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide
Descriptor: (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F.
Deposit date:2021-12-12
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023
7QHE
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BU of 7qhe by Molmil
Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide
Descriptor: (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F.
Deposit date:2021-12-12
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023
1GB2
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BU of 1gb2 by Molmil
CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS
Descriptor: LYSOZYME, SODIUM ION
Authors:Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2000-06-26
Release date:2000-07-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions.
Biochemistry, 39, 2000
1GB9
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BU of 1gb9 by Molmil
CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS
Descriptor: LYSOZYME, SODIUM ION
Authors:Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2000-06-26
Release date:2000-07-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions.
Biochemistry, 39, 2000
3WA9
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BU of 3wa9 by Molmil
The nucleosome containing human H2A.Z.1
Descriptor: DNA (146-MER), Histone H2A.Z, Histone H2B type 1-J, ...
Authors:Horikoshi, N, Sato, K, Shimada, K, Arimura, Y, Osakabe, A, Tachiwana, H, Iwasaki, W, Kagawa, W, Harata, M, Kimura, H, Kurumizaka, H.
Deposit date:2013-04-30
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Structural polymorphism in the L1 loop regions of human H2A.Z.1 and H2A.Z.2
Acta Crystallogr.,Sect.D, 69, 2013
1GBX
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CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS
Descriptor: LYSOZYME, SODIUM ION
Authors:Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2000-06-26
Release date:2000-07-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions.
Biochemistry, 39, 2000
8SLT
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BU of 8slt by Molmil
Crystal structure of human STEP (PTPN5) at physiological temperature (310 K) and ambient pressure (0.1 MPa)
Descriptor: SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
Authors:Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
Deposit date:2023-04-24
Release date:2023-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
1D7M
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BU of 1d7m by Molmil
COILED-COIL DIMERIZATION DOMAIN FROM CORTEXILLIN I
Descriptor: CORTEXILLIN I
Authors:Burkhard, P, Kammerer, R.A, Steinmetz, M.O, Bourenkov, G.P, Aebi, U.
Deposit date:1999-10-19
Release date:2000-03-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The coiled-coil trigger site of the rod domain of cortexillin I unveils a distinct network of interhelical and intrahelical salt bridges.
Structure Fold.Des., 8, 2000
1GAZ
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BU of 1gaz by Molmil
Crystal Structure of Mutant Human Lysozyme Substituted at the Surface Positions
Descriptor: LYSOZYME, SODIUM ION
Authors:Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2000-06-26
Release date:2000-07-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of amino acid residues at turns in the conformational stability and folding of human lysozyme.
Biochemistry, 39, 2000
1GB5
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BU of 1gb5 by Molmil
CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS
Descriptor: LYSOZYME, SODIUM ION
Authors:Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2000-06-26
Release date:2000-07-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions.
Biochemistry, 39, 2000
7QUG
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BU of 7qug by Molmil
Crystal structure of carbon-sulfur lyase FnaPatB1 from Fusobacterium nucleatum subspecies animalis in complex with allyl-cysteine
Descriptor: ACETATE ION, CACODYLATE ION, allyl-cysteine, ...
Authors:Schwartz, M.
Deposit date:2022-01-18
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Metabolism of Cysteine Conjugates and Production of Flavor Sulfur Compounds by a Carbon-Sulfur Lyase from the Oral Anaerobe Fusobacterium nucleatum.
J.Agric.Food Chem., 70, 2022

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