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7BO3
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BU of 7bo3 by Molmil
Human Butyrylcholinesterase in complex with N-(2-(1H-Indol-3-yl)ethyl)-2-cycloheptyl-N-methylethan-1-amine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S.
Deposit date:2021-01-23
Release date:2022-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
2RJ9
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BU of 2rj9 by Molmil
B-specific alpha-1,3-galactosyltransferase (GTB) + UDP+ Amino-deoxy-acceptor
Descriptor: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Evans, S.V, Alfaro, J.A.
Deposit date:2007-10-14
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
1J9W
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BU of 1j9w by Molmil
Solution Structure of the CAI Michigan 1 Variant
Descriptor: 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, ZINC ION
Authors:Briganti, F, Ferraroni, M, Chedwiggen, W.R, Scozzafava, A, Supuran, C.T, Tilli, S.
Deposit date:2001-05-29
Release date:2001-06-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination.
Biochemistry, 41, 2002
1JEU
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BU of 1jeu by Molmil
OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KEK
Descriptor: OLIGO-PEPTIDE BINDING PROTEIN, PEPTIDE LYS GLU LYS, URANYL (VI) ION
Authors:Tame, J, Wilkinson, A.J.
Deposit date:1996-07-03
Release date:1997-05-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The role of water in sequence-independent ligand binding by an oligopeptide transporter protein.
Nat.Struct.Biol., 3, 1996
7BIA
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BU of 7bia by Molmil
Crystal structure of human GSTP1 bound to iberin
Descriptor: 1-isothiocyanato-3-methylsulfinyl-propane, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, ...
Authors:Schwartz, M, Neiers, F.
Deposit date:2021-01-12
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Role of human salivary enzymes in bitter taste perception.
Food Chem, 386, 2022
2RJQ
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BU of 2rjq by Molmil
Crystal structure of ADAMTS5 with inhibitor bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ADAMTS-5, ...
Authors:Mosyak, L, Stahl, M, Somers, W.
Deposit date:2007-10-15
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
1JFW
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BU of 1jfw by Molmil
HOMONUCLEAR AND HETERONUCLEAR 1H-13C NUCLEAR MAGNETIC RESONANCE ASSIGNMENT AND STRUCTURAL CHARACTERIZATION OF A HIV-1 TAT PROTEIN
Descriptor: TAT PROTEIN
Authors:Peloponese, J.M, Gregoire, C, Opi, S, Esquieu, D.
Deposit date:2001-06-22
Release date:2001-08-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:1H-13C nuclear magnetic resonance assignment and structural characterization of HIV-1 Tat protein.
C.R.Acad.Sci.III, 323, 2000
1WW5
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BU of 1ww5 by Molmil
Agrocybe cylindracea galectin complexed with 3'-sulfonyl lactose
Descriptor: 3-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin
Authors:Ban, M, Yoon, H.J, Demirkan, E, Utsumi, S, Mikami, B, Yagi, F.
Deposit date:2005-01-03
Release date:2005-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of a Fungal Galectin from Agrocybe cylindracea for Recognizing Sialoconjugate
J.Mol.Biol., 351, 2005
2ROD
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BU of 2rod by Molmil
Solution Structure of MCL-1 Complexed with NoxaA
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Noxa
Authors:Day, C.L, Smits, C, Fan, F.C, Lee, E.F, Fairlie, W.D, Hinds, M.G.
Deposit date:2008-03-17
Release date:2008-07-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the BH3 Domains from the p53-Inducible BH3-Only Proteins Noxa and Puma in Complex with Mcl-1
J.Mol.Biol., 380, 2008
7BO4
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BU of 7bo4 by Molmil
Human Butyrylcholinesterase in complex with 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H-indol-6-ol
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S.
Deposit date:2021-01-23
Release date:2022-03-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
1SQB
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BU of 1sqb by Molmil
Crystal Structure Analysis of Bovine Bc1 with Azoxystrobin
Descriptor: Cytochrome b, Cytochrome c1, heme protein, ...
Authors:Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D.
Deposit date:2004-03-18
Release date:2004-09-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex
J.Mol.Biol., 341, 2004
1JDC
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BU of 1jdc by Molmil
MUTANT (E219Q) MALTOTETRAOSE-FORMING EXO-AMYLASE COCRYSTALLIZED WITH MALTOTETRAOSE (CRYSTAL TYPE 1)
Descriptor: 1,4-ALPHA MALTOTETRAHYDROLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yoshioka, Y, Hasegawa, K, Matsuura, Y, Katsube, Y, Kubota, M.
Deposit date:1997-06-16
Release date:1997-10-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of a mutant maltotetraose-forming exo-amylase cocrystallized with maltopentaose.
J.Mol.Biol., 271, 1997
7BLZ
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BU of 7blz by Molmil
Red alga C.merolae Photosystem I
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R)-beta,beta-caroten-3-ol, ...
Authors:Nelson, N, Klaiman, D, Hippler, M.
Deposit date:2021-01-19
Release date:2022-03-02
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Red alga C.merolae Photosystem I
To Be Published
1SCF
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BU of 1scf by Molmil
HUMAN RECOMBINANT STEM CELL FACTOR
Descriptor: CALCIUM ION, PENTAETHYLENE GLYCOL, STEM CELL FACTOR
Authors:Jiang, X, Gurel, O, Langley, K.E, Hendrickson, W.A.
Deposit date:1998-06-04
Release date:2000-07-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the active core of human stem cell factor and analysis of binding to its receptor kit.
EMBO J., 19, 2000
2TCT
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BU of 2tct by Molmil
THE COMPLEX FORMED BETWEEN TET REPRESSOR AND TETRACYCLINE-MG2+ REVEALS MECHANISM OF ANTIBIOTIC RESISTANCE
Descriptor: 7-CHLOROTETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR
Authors:Hinrichs, W, Kisker, C, Saenger, W.
Deposit date:1995-03-02
Release date:1996-04-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The complex formed between Tet repressor and tetracycline-Mg2+ reveals mechanism of antibiotic resistance.
J.Mol.Biol., 247, 1995
1JD9
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BU of 1jd9 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT K300Q OF PSEUDOALTEROMONAS HALOPLANCTIS ALPHA-AMYLASE
Descriptor: ALPHA-AMYLASE, CALCIUM ION
Authors:Aghajari, N, Haser, R.
Deposit date:2001-06-13
Release date:2002-09-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of alpha-amylase activation by chloride
PROTEIN SCI., 11, 2002
1JDN
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BU of 1jdn by Molmil
Crystal Structure of Hormone Receptor
Descriptor: ATRIAL NATRIURETIC PEPTIDE CLEARANCE RECEPTOR, CHLORIDE ION, beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, X.-L, Chow, D.-C, Martick, M.M, Garcia, K.C.
Deposit date:2001-06-14
Release date:2001-09-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Allosteric activation of a spring-loaded natriuretic peptide receptor dimer by hormone.
Science, 293, 2001
2TSR
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BU of 2tsr by Molmil
THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
Authors:Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R.
Deposit date:1998-06-19
Release date:1999-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
2RDQ
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BU of 2rdq by Molmil
Crystal Structure of PtlH with Fe/alpha ketoglutarate bound
Descriptor: 1-deoxypentalenic acid 11-beta hydroxylase; Fe(II)/alpha-ketoglutarate dependent hydroxylase, 2-OXOGLUTARIC ACID, FE (III) ION, ...
Authors:You, Z, Omura, S, Ikeda, H, Cane, D.E, Jogl, G.
Deposit date:2007-09-24
Release date:2007-10-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Crystal Structure of the Non-heme Iron Dioxygenase PtlH in Pentalenolactone Biosynthesis.
J.Biol.Chem., 282, 2007
2REQ
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BU of 2req by Molmil
METHYLMALONYL-COA MUTASE, NON-PRODUCTIVE COA COMPLEX, IN OPEN CONFORMATION REPRESENTING SUBSTRATE-FREE STATE
Descriptor: COBALAMIN, COENZYME A, METHYLMALONYL-COA MUTASE
Authors:Evans, P.R, Mancia, F.
Deposit date:1997-09-22
Release date:1998-01-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational changes on substrate binding to methylmalonyl CoA mutase and new insights into the free radical mechanism.
Structure, 6, 1998
1JCS
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BU of 1jcs by Molmil
CRYSTAL STRUCTURE OF RAT PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH THE PEPTIDE SUBSTRATE TKCVFM AND AN ANALOG OF FARNESYL DIPHOSPHATE
Descriptor: ACETIC ACID, PROTEIN FARNESYLTRANSFERASE, ALPHA SUBUNIT, ...
Authors:Long, S.B, Casey, P.J, Beese, L.S.
Deposit date:2001-06-11
Release date:2001-11-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of human protein farnesyltransferase reveals the basis for inhibition by CaaX tetrapeptides and their mimetics.
Proc.Natl.Acad.Sci.USA, 98, 2001
1WDR
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BU of 1wdr by Molmil
The role of an inner loop in the catalytic mechanism of soybean beta-amylase
Descriptor: Beta-amylase, SULFATE ION, alpha-D-glucopyranose, ...
Authors:Kang, Y.N, Adachi, M, Utsumi, S, Mikami, B.
Deposit date:2004-05-17
Release date:2005-04-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural analysis of threonine 342 mutants of soybean beta-amylase: role of a conformational change of the inner loop in the catalytic mechanism.
Biochemistry, 44, 2005
2RLF
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BU of 2rlf by Molmil
Proton Channel M2 from Influenza A in complex with inhibitor rimantadine
Descriptor: Matrix protein 2, RIMANTADINE
Authors:Chou, J.J, Schnell, J.R.
Deposit date:2007-07-11
Release date:2008-01-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure and mechanism of the M2 proton channel of influenza A virus.
Nature, 451, 2008
1JI2
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BU of 1ji2 by Molmil
Improved X-ray Structure of Thermoactinomyces vulgaris R-47 alpha-Amylase 2
Descriptor: ALPHA-AMYLASE II, CALCIUM ION
Authors:Kamitori, S, Abe, A, Ohtaki, A, Kaji, A, Tonozuka, T, Sakano, Y.
Deposit date:2001-06-28
Release date:2002-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures and structural comparison of Thermoactinomyces vulgaris R-47 alpha-amylase 1 (TVAI) at 1.6 A resolution and alpha-amylase 2 (TVAII) at 2.3 A resolution.
J.Mol.Biol., 318, 2002
1WDQ
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BU of 1wdq by Molmil
The role of an inner loop in the catalytic mechanism of soybean beta-amylase
Descriptor: Beta-amylase, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Kang, Y.N, Adachi, M, Utsumi, S, Mikami, B.
Deposit date:2004-05-17
Release date:2005-04-05
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structural analysis of threonine 342 mutants of soybean beta-amylase: role of a conformational change of the inner loop in the catalytic mechanism.
Biochemistry, 44, 2005

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