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3MAD
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BU of 3mad by Molmil
Crystal structure of StSPL (symmetric form)
Descriptor: PHOSPHATE ION, Sphingosine-1-phosphate lyase
Authors:Bourquin, F, Grutter, M.G, Capitani, G.
Deposit date:2010-03-23
Release date:2010-08-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
3MBB
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BU of 3mbb by Molmil
Crystal structure of StSPL - apo form, after treatment with semicarbazide
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ...
Authors:Bourquin, F, Grutter, M.G, Capitani, G.
Deposit date:2010-03-25
Release date:2010-08-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
3MC6
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BU of 3mc6 by Molmil
Crystal structure of ScDPL1
Descriptor: PHOSPHATE ION, Sphingosine-1-phosphate lyase
Authors:Bourquin, F, Grutter, M.G, Capitani, G.
Deposit date:2010-03-27
Release date:2010-08-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
3NWQ
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BU of 3nwq by Molmil
X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with MVT-101
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-10
Release date:2011-11-02
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3MAF
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BU of 3maf by Molmil
Crystal structure of StSPL (asymmetric form)
Descriptor: CHLORIDE ION, PHOSPHATE ION, sphingosine-1-phosphate lyase
Authors:Bourquin, F, Grutter, M.G, Capitani, G.
Deposit date:2010-03-23
Release date:2010-08-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.971 Å)
Cite:Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
3NXE
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BU of 3nxe by Molmil
X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease covalent dimer
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-13
Release date:2011-11-02
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
6ZWX
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BU of 6zwx by Molmil
Crystal structure of E. coli RNA helicase HrpA
Descriptor: ATP-dependent RNA helicase HrpA
Authors:Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C.
Deposit date:2020-07-29
Release date:2021-06-30
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZWW
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BU of 6zww by Molmil
Crystal structure of E. coli RNA helicase HrpA in complex with RNA
Descriptor: ATP-dependent RNA helicase HrpA, CALCIUM ION, ssRNA
Authors:Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C.
Deposit date:2020-07-29
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Proc.Natl.Acad.Sci.USA, 118, 2021
1WUB
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BU of 1wub by Molmil
Crystal structure of the polyisoprenoid-binding protein, TT1927b, from Thermus thermophilus HB8
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, conserved hypothetical protein TT1927b
Authors:Handa, N, Idaka, M, Terada, T, Hamana, H, Ishizuka, Y, Park, S.-Y, Tame, J.R.H, Doi-Katayama, Y, Hirota, H, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-12-03
Release date:2004-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a novel polyisoprenoid-binding protein from Thermus thermophilus HB8
Protein Sci., 14, 2005
7AKP
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BU of 7akp by Molmil
Crystal structure of E. coli RNA helicase HrpA-D305A
Descriptor: ATP-dependent RNA helicase HrpA
Authors:Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C.
Deposit date:2020-10-01
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Proc.Natl.Acad.Sci.USA, 118, 2021
1BYQ
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BU of 1byq by Molmil
HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (HEAT SHOCK PROTEIN 90)
Authors:Russo, A.A, Pavletich, N.P.
Deposit date:1998-10-19
Release date:1998-10-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:In vivo function of Hsp90 is dependent on ATP binding and ATP hydrolysis.
J.Cell Biol., 143, 1998
4G17
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BU of 4g17 by Molmil
Crystal structure of ck1g3 with 2-[(4-TERT-BUTYLPHENYL)AMINO]-1H-BENZIMIDAZOLE-6-CARBONITRILE
Descriptor: 2-[(4-tert-butylphenyl)amino]-1H-benzimidazole-6-carbonitrile, Casein kinase I isoform gamma-3
Authors:Huang, X.
Deposit date:2012-07-10
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1g)inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
4G16
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BU of 4g16 by Molmil
Crystal structure of ck1g3 with 2-[(4-{[3-(TRIFLUOROMETHYL)PYRIDIN2-YL]OXY}PHENYL)AMINO]-1H-BENZIMIDAZOLE-6-CARBONITRILE
Descriptor: 2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1H-benzimidazole-6-carbonitrile, Casein kinase I isoform gamma-3
Authors:Huang, X.
Deposit date:2012-07-10
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1g)inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
1CJE
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BU of 1cje by Molmil
ADRENODOXIN FROM BOVINE
Descriptor: ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER
Authors:Pikuleva, I.A, Tesh, K, Waterman, M.R, Kim, Y.
Deposit date:1999-04-12
Release date:2000-01-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The tertiary structure of full-length bovine adrenodoxin suggests functional dimers.
Arch.Biochem.Biophys., 373, 2000
4R0I
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BU of 4r0i by Molmil
CRYSTAL STRUCTURE of MATRIPTASE in COMPLEX WITH INHIBITOR
Descriptor: 3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide, SERINE PROTEASE, MATRIPTASE, ...
Authors:Rao, K.N, Ashok, K.N, Chakshusmathi, G, Rajeev, G, Subramanya, H.
Deposit date:2014-07-31
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of O-(3-carbamimidoylphenyl)-l-serine amides as matriptase inhibitors using a fragment-linking approach
Bioorg.Med.Chem.Lett., 25, 2015
5XFD
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BU of 5xfd by Molmil
Serial femtosecond X-ray structure of Agrocybe cylindracea galectin with lactose solved by Se-SAD using XFEL (refined against 60,000 patterns)
Descriptor: Galactoside-binding lectin, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Kuwabara, N, Fumiaki, Y, Kato, R.
Deposit date:2017-04-10
Release date:2017-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
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
4U6R
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BU of 4u6r by Molmil
Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide, ...
Authors:Mohr, C.
Deposit date:2014-07-29
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
4U79
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BU of 4u79 by Molmil
Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor.
Descriptor: Mitogen-activated protein kinase 10, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide
Authors:Mohr, C.
Deposit date:2014-07-30
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
5XFE
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BU of 5xfe by Molmil
Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ...
Authors:Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
Deposit date:2017-04-10
Release date:2017-08-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
4HWY
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BU of 4hwy by Molmil
Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H.
Deposit date:2012-11-09
Release date:2012-12-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339, 2013
5X7E
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BU of 5x7e by Molmil
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D2
Descriptor: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D3 dihydroxylase
Authors:Hayashi, K, Yasuda, K, Shiro, Y, Sugimoto, H, Sakaki, T.
Deposit date:2017-02-25
Release date:2017-05-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Production of an active form of vitamin D2 by genetically engineered CYP105A1
Biochem. Biophys. Res. Commun., 486, 2017
1BAB
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BU of 1bab by Molmil
HEMOGLOBIN THIONVILLE: AN ALPHA-CHAIN VARIANT WITH A SUBSTITUTION OF A GLUTAMATE FOR VALINE AT NA-1 AND HAVING AN ACETYLATED METHIONINE NH2 TERMINUS
Descriptor: HEMOGLOBIN THIONVILLE (DEOXY) (ALPHA CHAIN), HEMOGLOBIN THIONVILLE (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kavanaugh, J.S, Arnone, A.
Deposit date:1992-05-06
Release date:1994-01-31
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hemoglobin Thionville. An alpha-chain variant with a substitution of a glutamate for valine at NA-1 and having an acetylated methionine NH2 terminus.
J.Biol.Chem., 267, 1992
1BYX
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BU of 1byx by Molmil
CHIMERIC HYBRID DUPLEX R(GCAGUGGC).R(GCCA)D(CTGC) COMPRISING THE TRNA-DNA JUNCTION FORMED DURING INITIATION OF HIV-1 REVERSE TRANSCRIPTION
Descriptor: DNA/RNA (5'-R(*GP*CP*CP*A)-D(P*CP*TP*GP*C)-3'), RNA (5'-R(*GP*CP*AP*GP*UP*GP*GP*C)-3')
Authors:Szyperski, T, Goette, M, Billeter, M, Perola, E, Cellai, L.
Deposit date:1998-10-20
Release date:1999-10-20
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of the chimeric hybrid duplex r(gcaguggc).r(gcca)d(CTGC) comprising the tRNA-DNA junction formed during initiation of HIV-1 reverse transcription.
J.Biomol.NMR, 13, 1999
5AGU
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BU of 5agu by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ...
Authors:Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
Deposit date:2015-02-03
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.173 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015

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