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6ZHZ
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BU of 6zhz by Molmil
OleP-oleandolide(DEO) in high salt crystallization conditions
Descriptor: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P-450, ...
Authors:Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Cecchetti, C.
Deposit date:2020-06-24
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
2J76
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BU of 2j76 by Molmil
Solution structure and RNA interactions of the RNA recognition motif from eukaryotic translation initiation factor 4B
Descriptor: EUKARYOTIC TRANSLATION INITIATION FACTOR 4B
Authors:Fleming, K, Ghuman, J, Yuan, X.M, Simpson, P, Szendroi, A, Matthews, S, Curry, S.
Deposit date:2006-10-06
Release date:2008-10-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure and RNA Interactions of the RNA Recognition Motif from Eukaryotic Translation Initiation Factor 4B.
Biochemistry, 42, 2003
5EQH
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BU of 5eqh by Molmil
Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide
Descriptor: (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1
Authors:Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M.
Deposit date:2015-11-12
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
3EUL
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BU of 3eul by Molmil
Structure of the signal receiver domain of the putative response regulator NarL from Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, POSSIBLE NITRATE/NITRITE RESPONSE TRANSCRIPTIONAL REGULATORY PROTEIN NARL (DNA-binding response regulator, LuxR family)
Authors:Schneider, G, Schnell, R, Agren, D.
Deposit date:2008-10-10
Release date:2008-11-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9 A structure of the signal receiver domain of the putative response regulator NarL from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 64, 2008
6ZI3
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BU of 6zi3 by Molmil
Crystal structure of OleP-6DEB bound to L-rhamnose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, ...
Authors:Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I.
Deposit date:2020-06-24
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
2IJ3
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BU of 2ij3 by Molmil
Structure of the A264H mutant of cytochrome P450 BM3
Descriptor: Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Toogood, H.S, Leys, D.
Deposit date:2006-09-29
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007
5ERD
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BU of 5erd by Molmil
Crystal structure of human Desmoglein-2 ectodomain
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brasch, J, Harrison, O.J, Shapiro, L.
Deposit date:2015-11-13
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of adhesive binding by desmocollins and desmogleins.
Proc.Natl.Acad.Sci.USA, 113, 2016
3EV1
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BU of 3ev1 by Molmil
Crystal Structure of Ribonuclease A in 70% Hexanediol
Descriptor: HEXANE-1,6-DIOL, Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
6ZL5
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BU of 6zl5 by Molmil
CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP
Descriptor: (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kessler, D, Fischer, G, Boettcher, J.
Deposit date:2020-06-30
Release date:2020-08-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.645 Å)
Cite:Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
6Z4C
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BU of 6z4c by Molmil
The structure of the N-terminal domain of RssB from E. coli
Descriptor: Regulator of RpoS
Authors:Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D.
Deposit date:2020-05-25
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020
2IEY
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BU of 2iey by Molmil
Crystal Structure of mouse Rab27b bound to GDP in hexagonal space group
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-27B
Authors:Chavas, L.M.G, Torii, S, Kamikubo, H, Kawasaki, M, Ihara, K, Kato, R, Kataoka, M, Izumi, T, Wakatsuki, S.
Deposit date:2006-09-19
Release date:2007-05-01
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Structure of the small GTPase Rab27b shows an unexpected swapped dimer
Acta Crystallogr.,Sect.D, 63, 2007
6Z4I
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BU of 6z4i by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 3 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
2IKU
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BU of 2iku by Molmil
Crystal Structure of Human Renin Complexed with Inhibitors
Descriptor: 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE, Renin
Authors:Mochalkin, I.
Deposit date:2006-10-02
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
6Z4O
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BU of 6z4o by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z52
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BU of 6z52 by Molmil
Crystal structure of CLK3 in complex with macrocycle ODS2003136
Descriptor: 1,2-ETHANEDIOL, 11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, CHLORIDE ION, ...
Authors:Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-26
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of CLK3 in complex with macrocycle ODS2003136
To Be Published
5ER7
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BU of 5er7 by Molmil
Connexin-26 Bound to Calcium
Descriptor: CALCIUM ION, Gap junction beta-2 protein
Authors:Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
Deposit date:2015-11-13
Release date:2016-01-27
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (3.286 Å)
Cite:An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
6Z67
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BU of 6z67 by Molmil
FtsE structure of Streptococcus pneumoniae in complex with AMPPNP at 2.4 A resolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, j.A.
Deposit date:2020-05-28
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae.
Mbio, 11, 2020
3EV2
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BU of 3ev2 by Molmil
Crystal Structure of Ribonuclease A in 70% Isopropanol
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
6ZIR
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BU of 6zir by Molmil
CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP AND COMPOUND 18
Descriptor: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kessler, D, Fischer, G, Boettcher, J.
Deposit date:2020-06-26
Release date:2020-08-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
6ZIW
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BU of 6ziw by Molmil
The IRAK3 Pseudokinase Domain Bound To ATPgammaS
Descriptor: Interleukin-1 receptor-associated kinase 3, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SULFATE ION
Authors:Mathea, S, Chatterjee, D, Preuss, F, Kraemer, A, Knapp, S.
Deposit date:2020-06-26
Release date:2020-07-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The IRAK3 Pseudokinase Domain Bound To ATPgammaS
To Be Published
5ESF
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BU of 5esf by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with fluconazole
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
3EV5
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BU of 3ev5 by Molmil
Crystal Structure of Ribonuclease A in 1M Trimethylamine N-Oxide
Descriptor: Ribonuclease pancreatic, trimethylamine oxide
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EGF
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BU of 3egf by Molmil
SOLUTION STRUCTURE OF MURINE EPIDERMAL GROWTH FACTOR DETERMINED BY NMR SPECTROSCOPY AND REFINED BY ENERGY MINIMIZATION WITH RESTRAINTS
Descriptor: EPIDERMAL GROWTH FACTOR
Authors:Montelione, G.T, Wuthrich, K, Scheraga, H.A.
Deposit date:1992-08-30
Release date:1994-01-31
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of murine epidermal growth factor determined by NMR spectroscopy and refined by energy minimization with restraints.
Biochemistry, 31, 1992
3ERK
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BU of 3erk by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE ERK2/SB220025
Descriptor: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, EXTRACELLULAR REGULATED KINASE 2
Authors:Wang, Z, Canagarajah, B, Boehm, J.C, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J.
Deposit date:1998-07-09
Release date:1999-07-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
3EST
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BU of 3est by Molmil
STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, PORCINE PANCREATIC ELASTASE, SULFATE ION
Authors:Meyer, E.F, Cole, G, Radhakrishnan, R, Epp, O.
Deposit date:1987-09-17
Release date:1988-01-16
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of native porcine pancreatic elastase at 1.65 A resolutions.
Acta Crystallogr.,Sect.B, 44, 1988

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