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2YIO
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BU of 2yio by Molmil
Crystal Structure of Parasite Sarcocystis muris Microneme Protein SML- 2 in complex with 1-Thio-beta-D-Galactose (SPACEGROUP C2221)
Descriptor: 1-thio-beta-D-galactopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Mueller, J.J, Heinemann, U.
Deposit date:2011-05-16
Release date:2011-11-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Pan-Modular Structure of Microneme Protein Sml-2 from Parasite Sarcocystis Muris at 1.95 A Resolution and its Complex with 1-Thio-Beta-D-Galactose.
Acta Crystallogr.,Sect.D, D67, 2011
5UTY
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BU of 5uty by Molmil
Crystal Structure of a Stabilized DS-SOSIP.mut4 BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, N300M, N302M, T320L in Complex with Human Antibodies PGT122 and 35O22 at 4.1 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab heavy chain, ...
Authors:Xu, K, Chuang, G.-Y, Pancera, M, Kwong, P.D.
Deposit date:2017-02-15
Release date:2017-03-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.412 Å)
Cite:Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity.
J. Virol., 91, 2017
5UTF
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BU of 5utf by Molmil
Crystal Structure of a Stabilized DS-SOSIP.6mut BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, Y177W, N300M, N302M, T320L, I420M in Complex with Human Antibodies PGT122 and 35O22 at 4.3 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35022 Heavy chain, ...
Authors:Pancera, M, Chuang, G.-Y, Xu, K, Kwong, P.D.
Deposit date:2017-02-14
Release date:2017-03-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity.
J. Virol., 91, 2017
3TI2
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BU of 3ti2 by Molmil
1.90 Angstrom resolution crystal structure of N-terminal domain 3-phosphoshikimate 1-carboxyvinyltransferase from Vibrio cholerae
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, CHLORIDE ION, TETRAETHYLENE GLYCOL
Authors:Light, S.H, Minasov, G, Halavaty, A.S, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-08-19
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.90 Angstrom resolution crystal structure of N-terminal domain 3-phosphoshikimate 1-carboxyvinyltransferase from Vibrio cholerae
TO BE PUBLISHED
3TGY
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BU of 3tgy by Molmil
Crystal structure of the complex of Bovine Lactoperoxidase with Ascorbic acid at 2.35 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yamini, S, Singh, R.P, Singh, A.K, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2011-08-18
Release date:2011-09-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution.
Biochim.Biophys.Acta, 1865, 2017
1AOE
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BU of 1aoe by Molmil
CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE (GW345)
Descriptor: 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Whitlow, M, Howard, A.J, Stewart, D.
Deposit date:1997-07-02
Release date:1998-01-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic studies of Candida albicans dihydrofolate reductase. High resolution structures of the holoenzyme and an inhibited ternary complex.
J.Biol.Chem., 272, 1997
3SZ9
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BU of 3sz9 by Molmil
Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one
Descriptor: 1,2-ETHANEDIOL, 1-(4-ethylphenyl)propan-1-one, Aldehyde dehydrogenase, ...
Authors:Perez-Miller, S, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3HVN
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BU of 3hvn by Molmil
Crystal structure of cytotoxin protein suilysin from Streptococcus suis
Descriptor: 1,1,1,3,3,3-hexafluoropropan-2-ol, HEPTANE-1,2,3-TRIOL, Hemolysin
Authors:Xu, L, Huang, B, Du, H, Zhang, C.X, Xu, J, Li, X, Rao, Z.
Deposit date:2009-06-16
Release date:2010-03-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.852 Å)
Cite:Crystal structure of cytotoxin protein suilysin from Streptococcus suis.
Protein Cell, 1, 2010
2CZD
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BU of 2czd by Molmil
Crystal structure of orotidine 5'-phosphate decarboxylase from Pyrococcus horikoshii OT3 at 1.6 A resolution
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Arai, R, Ito, K, Kamo-Uchikubo, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-07-13
Release date:2006-01-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of orotidine 5'-phosphate decarboxylase from Pyrococcus horikoshii OT3 at 1.6 A resolution
To be Published
2OTY
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BU of 2oty by Molmil
1,2-dichlorobenzene in complex with T4 Lysozyme L99A
Descriptor: 1,2-DICHLOROBENZENE, BETA-MERCAPTOETHANOL, Lysozyme, ...
Authors:Graves, A.P, Shoichet, B.K.
Deposit date:2007-02-09
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
2OU0
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BU of 2ou0 by Molmil
1-methylpyrrole in complex with T4 Lysozyme L99A
Descriptor: 1-METHYL-1H-PYRROLE, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Shoichet, B.K.
Deposit date:2007-02-09
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
3NOX
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BU of 3nox by Molmil
Crystal structure of human DPP-IV in complex with Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl-peptidase 4 (CD26, ...
Authors:Klei, H.E.
Deposit date:2010-06-25
Release date:2010-08-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.338 Å)
Cite:Discovery of 6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as Potent, Selective Dipeptidyl Peptidase-4 (DPP4) Inhibitors.
J.Med.Chem., 53, 2010
1IGX
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BU of 1igx by Molmil
Crystal Structure of Eicosapentanoic Acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,8,11,14,17-EICOSAPENTAENOIC ACID, ...
Authors:Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M.
Deposit date:2001-04-18
Release date:2001-12-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1.
J.Biol.Chem., 276, 2001
3EY4
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BU of 3ey4 by Molmil
Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
Descriptor: (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one, 11-beta-Hydroxysteroid Dehydrogenase 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J.D, Jordan, S.R, Li, V.
Deposit date:2008-10-17
Release date:2008-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
To be Published, 2008
2X2I
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BU of 2x2i by Molmil
Crystal structure of the Gracilariopsis lemaneiformis alpha-1,4- glucan lyase with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, GLYCEROL
Authors:Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
Deposit date:2010-01-13
Release date:2011-01-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
2BHP
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BU of 2bhp by Molmil
Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase from Thermus with bound NAD.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ...
Authors:Inagaki, E, Tahirov, T.H.
Deposit date:2005-01-16
Release date:2006-03-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Thermus Thermophilus Delta(1)- Pyrroline-5-Carboxylate Dehydrogenase.
J.Mol.Biol., 362, 2006
2BHQ
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BU of 2bhq by Molmil
Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase from Thermus with bound product glutamate.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ...
Authors:Inagaki, E, Tahirov, T.H.
Deposit date:2005-01-16
Release date:2006-03-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Thermus Thermophilus Delta(1)- Pyrroline-5-Carboxylate Dehydrogenase.
J.Mol.Biol., 362, 2006
2BJK
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BU of 2bjk by Molmil
Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase from Thermus with bound NAD and citrate.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ...
Authors:Inagaki, E, Tahirov, T.H.
Deposit date:2005-02-04
Release date:2006-03-09
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Thermus Thermophilus Delta(1)- Pyrroline-5-Carboxylate Dehydrogenase.
J.Mol.Biol., 362, 2006
7JHK
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BU of 7jhk by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 in unliganded form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Hao, Y, Huang, X.
Deposit date:2020-07-20
Release date:2020-11-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3436 Å)
Cite:Structures and mechanism of human glycosyltransferase beta 1,3-N-acetylglucosaminyltransferase 2 (B3GNT2), an important player in immune homeostasis.
J.Biol.Chem., 296, 2020
4CN1
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BU of 4cn1 by Molmil
GlgE isoform 1 from Streptomyces coelicolor D394A mutant with maltose- 1-phosphate bound
Descriptor: ALPHA-1,4-GLUCAN: MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-1-O-phosphono-alpha-D-glucopyranose
Authors:Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S.
Deposit date:2014-01-21
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate.
Biochemistry, 53, 2014
1B8G
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BU of 1b8g by Molmil
1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE
Descriptor: PROTEIN (1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE), PYRIDOXAL-5'-PHOSPHATE
Authors:Capitani, G, Hohenester, E, Feng, L, Storici, P, Kirsch, J.F, Jansonius, J.N.
Deposit date:1999-01-31
Release date:2000-01-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of 1-aminocyclopropane-1-carboxylate synthase, a key enzyme in the biosynthesis of the plant hormone ethylene.
J.Mol.Biol., 294, 1999
1YMT
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BU of 1ymt by Molmil
Mouse SF-1 LBD
Descriptor: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, Nuclear receptor 0B2, Steroidogenic factor 1
Authors:Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, Juzumiene, D, Bynum, J.M, Fletterick, R.J, Willson, T.M, Ingraham, H.A.
Deposit date:2005-01-21
Release date:2005-03-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
1ARP
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BU of 1arp by Molmil
Crystal structure of the fungal peroxidase from Arthromyces ramosus at 1.9 angstroms resolution: structural comparisons with the lignin and cytochrome C peroxidases
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PEROXIDASE, ...
Authors:Kunishima, N, Fukuyama, K.
Deposit date:1993-06-18
Release date:1994-01-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the fungal peroxidase from Arthromyces ramosus at 1.9 A resolution. Structural comparisons with the lignin and cytochrome c peroxidases.
J.Mol.Biol., 235, 1994
1IGZ
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BU of 1igz by Molmil
Crystal Structure of Linoleic acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M.
Deposit date:2001-04-18
Release date:2001-12-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1.
J.Biol.Chem., 276, 2001
3V66
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HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid
Descriptor: (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid, PHOSPHATE ION, Squalene synthase
Authors:Suzuki, M, Ohtsuka, M, Ohki, H, Haginoya, N, Itoh, M, Sugita, K, Usui, H, Ichikawa, M, Higashihashi, N.
Deposit date:2011-12-18
Release date:2012-12-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of novel tricyclic compounds as squalene synthase inhibitors
Bioorg.Med.Chem., 20, 2012

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