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1CRG
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BU of 1crg 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 Å)
Cite:The role of a conserved internal water molecule and its associated hydrogen bond network in cytochrome c.
J.Mol.Biol., 236, 1994
1QLU
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BU of 1qlu by Molmil
STRUCTURE OF THE H422A MUTANT VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH ISOEUGENOL
Descriptor: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol, FLAVIN-ADENINE DINUCLEOTIDE, VANILLYL-ALCOHOL OXIDASE
Authors:Mattevi, A.
Deposit date:1999-09-16
Release date:1999-09-20
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Covalent Flavinylation is Essential for Efficient Redox Catalysis in Vanillyl-Alcohol Oxidase
J.Biol.Chem., 274, 1999
4X62
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BU of 4x62 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D.
Deposit date:2014-12-06
Release date:2015-11-18
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (3.4492 Å)
Cite:N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
4X65
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BU of 4x65 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D.
Deposit date:2014-12-06
Release date:2015-11-18
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (3.345 Å)
Cite:N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
8DT4
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BU of 8dt4 by Molmil
X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime MMB4 (POX-hAChE-MMB4)
Descriptor: 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, DIETHYL PHOSPHONATE, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
8ITZ
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BU of 8itz by Molmil
Crystal structure of human Galectin-3 in complex with small molecule inhibitor
Descriptor: 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ...
Authors:Jinal, S, Amit, K, Ghosh, K.
Deposit date:2023-03-23
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
4XDK
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BU of 4xdk by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine
Descriptor: (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2014-12-19
Release date:2015-03-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
8IU1
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BU of 8iu1 by Molmil
Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor
Descriptor: 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, Galectin-3, MAGNESIUM ION
Authors:Jinal, S, Amit, K, Ghosh, K.
Deposit date:2023-03-23
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
8ITX
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BU of 8itx by Molmil
Crystal structure of human Galectin-3 in complex with small molecule inhibitor
Descriptor: 2-[(2S,3R,4S,5R,6R)-2-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ...
Authors:Jinal, S, Ghosh, K.
Deposit date:2023-03-23
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
8DT5
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BU of 8dt5 by Molmil
X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime RS170B (POX-hAChE-RS170B)
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, DIETHYL PHOSPHONATE, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
4XDL
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BU of 4xdl by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine, CADMIUM ION, ...
Authors:Mackenzie, A, Pike, A.C.W, Dong, Y.Y, Mukhopadhyay, S, Ruda, G.F, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2014-12-19
Release date:2015-03-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
6WWX
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BU of 6wwx by Molmil
Crystal structure of truncated bacteriophage hyaluronan lyase HylP in complex with unsaturated hyaluronan tetra-saccharides
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronoglucosaminidase, NICKEL (II) ION
Authors:Deivanayagam, C, Schormann, N.
Deposit date:2020-05-09
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Streptococcal Bacteriophage Hyaluronidase: Presence of a Prokaryotic Collagen and Elucidation of Catalytic Mechanism
To Be Published
6WXA
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BU of 6wxa by Molmil
Crystal structure of truncated Streptococcal bacteriophage hyaluronidase complexed with unsaturated hyaluronan hexa-saccharides
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Deivanayagam, C, Schormann, N.
Deposit date:2020-05-10
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Streptococcal Bacteriophage Hyaluronidase: Presence of a Prokaryotic Collagen and Elucidation of Catalytic Mechanism
To Be Published
8J44
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BU of 8j44 by Molmil
Reductive Aminase RA34-WT
Descriptor: 6-phosphogluconate dehydrogenase NAD-binding protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X.Y, Xu, G.C, Ni, Y.
Deposit date:2023-04-19
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Dynamic kinetic reductive resolution of cyclic keto esters by newly identified stereo complementary reductive aminases.
To Be Published
6X3M
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BU of 6x3m by Molmil
Crystal structure of full-length Streptococcal bacteriophage hyaluronidase in complex with unsaturated hyaluronan octa-saccharides
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronoglucosaminidase
Authors:Deivanayagam, C, Schormann, N.
Deposit date:2020-05-21
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.581 Å)
Cite:Crystal Structure of Streptococcal Bacteriophage Hyaluronidase: Presence of a Prokaryotic Collagen and Elucidation of Catalytic Mechanism
To Be Published
8DYN
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BU of 8dyn by Molmil
Antimicrobial lasso peptide cloacaenodin
Descriptor: Cloacaenodin
Authors:Carson, D.V, Link, A.J.
Deposit date:2022-08-04
Release date:2022-12-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Cloacaenodin, an Antimicrobial Lasso Peptide with Activity against Enterobacter .
Acs Infect Dis., 9, 2023
8J43
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BU of 8j43 by Molmil
Reductive aminase RA29-WT
Descriptor: 1,2-ETHANEDIOL, Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase, ...
Authors:Zheng, X.Y, Xu, G.C, Ni, Y.
Deposit date:2023-04-19
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Dynamic kinetic reductive resolution of cyclic keto esters by newly identified stereo complementary reductive aminases.
To Be Published
4XDJ
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BU of 4xdj by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in an alternate conformation (FORM 2)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, POTASSIUM ION, ...
Authors:Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2014-12-19
Release date:2015-03-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
1GSH
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BU of 1gsh by Molmil
STRUCTURE OF ESCHERICHIA COLI GLUTATHIONE SYNTHETASE AT PH 7.5
Descriptor: GLUTATHIONE BIOSYNTHETIC LIGASE
Authors:Matsuda, K, Kato, H, Yamaguchi, H, Nishioka, T, Katsube, Y, Oda, J.
Deposit date:1995-05-16
Release date:1996-07-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of glutathione synthetase at optimal pH: domain architecture and structural similarity with other proteins.
Protein Eng., 9, 1996
1H88
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BU of 1h88 by Molmil
CRYSTAL STRUCTURE OF TERNARY PROTEIN-DNA COMPLEX1
Descriptor: AMMONIUM ION, CCAAT/ENHANCER BINDING PROTEIN BETA, DNA(5'-(*CP*CP*AP*GP*TP*CP*CP*GP*TP*TP*AP* AP*GP*GP*AP*TP*TP*GP*CP*GP*CP*CP*AP*CP*AP*T)-3'), ...
Authors:Tahirov, T.H, Ogata, K.
Deposit date:2001-01-29
Release date:2002-01-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of C-Myb-C/Ebpbeta Cooperation from Separated Sites on a Promoter
Cell(Cambridge,Mass.), 108, 2002
8DSF
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BU of 8dsf by Molmil
Structure of cIAP1 with BCCov
Descriptor: (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form, Baculoviral IAP repeat-containing protein 2, ZINC ION
Authors:Schiemer, J.S, Calabrese, M.F.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
1E0O
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BU of 1e0o by Molmil
CRYSTAL STRUCTURE OF A TERNARY FGF1-FGFR2-HEPARIN COMPLEX
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, FIBROBLAST GROWTH FACTOR 1, FIBROBLAST GROWTH FACTOR RECEPTOR 2, ...
Authors:Pellegrini, L, Burke, D.F, von Delft, F, Mulloy, B, Blundell, T.L.
Deposit date:2000-04-03
Release date:2000-10-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Fibroblast Growth Factor Receptor Ectodomain Bound to Ligand and Heparin
Nature, 407, 2000
1I8O
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BU of 1i8o by Molmil
RHODOPSEUDOMONAS PALUSTRIS CYT C2 AMMONIA COMPLEX AT 1.15 ANGSTROM RESOLUTION
Descriptor: AMMONIA, CYTOCHROME C2, HEME C, ...
Authors:Garau, G, Geremia, S.
Deposit date:2001-03-15
Release date:2001-04-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Cleavage of the iron-methionine bond in c-type cytochromes: crystal structure of oxidized and reduced cytochrome c(2) from Rhodopseudomonas palustris and its ammonia complex.
Protein Sci., 11, 2002
6XW2
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BU of 6xw2 by Molmil
Crystal structure of the bright genetically encoded calcium indicator NCaMP7 based on mNeonGreen fluorescent protein
Descriptor: CALCIUM ION, Genetically encoded calcium indicator NCaMP7 based on mNeonGreen fluorescent protein, SULFATE ION
Authors:Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Lazarenko, V.A, Subach, O.M, Subach, F.V.
Deposit date:2020-01-22
Release date:2020-01-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Novel Genetically Encoded Bright Positive Calcium Indicator NCaMP7 Based on the mNeonGreen Fluorescent Protein.
Int J Mol Sci, 21, 2020
1I8N
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BU of 1i8n by Molmil
CRYSTAL STRUCTURE OF LEECH ANTI-PLATELET PROTEIN
Descriptor: ANTI-PLATELET PROTEIN, PROPIONAMIDE
Authors:Huizinga, E.G, Schouten, A, Connolly, T.M, Kroon, J, Sixma, J.J, Gros, P.
Deposit date:2001-03-15
Release date:2001-08-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of leech anti-platelet protein, an inhibitor of haemostasis.
Acta Crystallogr.,Sect.D, 57, 2001

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