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4DWS
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BU of 4dws by Molmil
Crystal Structure of a chitinase from the Yersinia entomophaga toxin complex
Descriptor: Chi2, GLYCEROL
Authors:Busby, J.N, Hurst, M.R.H, Lott, J.S.
Deposit date:2012-02-26
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The BC component of ABC toxins is an RHS-repeat-containing protein encapsulation device.
Nature, 501, 2013
6GEQ
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BU of 6geq by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 14a
Descriptor: 1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2018-04-27
Release date:2019-08-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors.
Chemistryopen, 8, 2019
3L4U
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BU of 3l4u by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with de-O-sulfonated kotalanol
Descriptor: (2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
3GF4
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BU of 3gf4 by Molmil
Structure of UDP-galactopyranose mutase bound to UDP-glucose
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ...
Authors:Gruber, T.D, Borrok, M.J, Kiessling, L.L, Forest, K.T.
Deposit date:2009-02-26
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Ligand binding and substrate discrimination by UDP-galactopyranose mutase.
J.Mol.Biol., 391, 2009
3QIJ
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BU of 3qij by Molmil
Primitive-monoclinic crystal structure of the FERM domain of protein 4.1R
Descriptor: Protein 4.1, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Zhong, N, Tong, Y, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-01-27
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Primitive-monoclinic crystal structure of the FERM domain of protein 4.1R
to be published
3G9Y
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BU of 3g9y by Molmil
Crystal structure of the second zinc finger from ZRANB2/ZNF265 bound to 6 nt ssRNA sequence AGGUAA
Descriptor: RNA (5'-R(*AP*GP*GP*UP*AP*A)-3'), ZINC ION, Zinc finger Ran-binding domain-containing protein 2
Authors:Loughlin, F.E, McGrath, A.P, Lee, M, Guss, J.M, Mackay, J.P.
Deposit date:2009-02-15
Release date:2009-03-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The zinc fingers of the SR-like protein ZRANB2 are single-stranded RNA-binding domains that recognize 5' splice site-like sequences
Proc.Natl.Acad.Sci.USA, 106, 2009
3L04
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BU of 3l04 by Molmil
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92P mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline
Descriptor: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2009-12-09
Release date:2010-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
6GSY
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BU of 6gsy by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: GLUTATHIONE, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
3KNG
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BU of 3kng by Molmil
Crystal structure of SnoaB, a cofactor-independent oxygenase from Streptomyces nogalater, determined to 1.9 resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Koskiniemi, H, Grocholski, T, Lindqvist, Y, Mantsala, P, Niemi, J, Schneider, G.
Deposit date:2009-11-12
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the cofactor-independent monooxygenase SnoaB from Streptomyces nogalater: implications for the reaction mechanism
Biochemistry, 49, 2010
6CB2
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BU of 6cb2 by Molmil
Crystal structure of Escherichia coli UppP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, SULFATE ION, Undecaprenyl-diphosphatase
Authors:Workman, S.D, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2018-02-01
Release date:2018-03-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of an intramembranal phosphatase central to bacterial cell-wall peptidoglycan biosynthesis and lipid recycling.
Nat Commun, 9, 2018
6CBV
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BU of 6cbv by Molmil
Crystal structure of BRIL bound to an affinity matured synthetic antibody.
Descriptor: BRIL, FORMIC ACID, GLYCEROL, ...
Authors:Mukherjee, S, Skrobek, B, Kossiakoff, A.A.
Deposit date:2018-02-05
Release date:2019-02-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.872 Å)
Cite:Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins.
Nat Commun, 11, 2020
6CGL
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BU of 6cgl by Molmil
X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit dAMP-bound as-isolated (pH 4)
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Ribonucleoside-diphosphate reductase, SULFATE ION
Authors:Maggiolo, A.O, Boal, A.K.
Deposit date:2018-02-20
Release date:2018-05-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An endogenous dAMP ligand inBacillus subtilisclass Ib RNR promotes assembly of a noncanonical dimer for regulation by dATP.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CHM
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BU of 6chm by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with N-(2-(5-methoxy-1H-indol-3-yl)ethyl)pivalamide
Descriptor: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6CCK
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BU of 6cck by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile
Descriptor: (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
4EV5
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BU of 4ev5 by Molmil
Crystal structure of copper amine oxidase-1 from Hansenula polymorpha in complex with benzylamine
Descriptor: BENZYLAMINE, COPPER (II) ION, GLYCEROL, ...
Authors:Klema, V.J, Solheid, C.J, Wilmot, C.M.
Deposit date:2012-04-25
Release date:2013-03-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of copper amine oxidase-1 from Hansenula polymorpha in complex with benzylamine
To be Published
3QT1
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BU of 3qt1 by Molmil
RNA polymerase II variant containing A Chimeric RPB9-C11 subunit
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Ruan, W, Lehmann, E, Thomm, M, Kostrewa, D, Cramer, P.
Deposit date:2011-02-22
Release date:2011-03-23
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Evolution of two modes of intrinsic RNA polymerase transcript cleavage.
J.Biol.Chem., 286, 2011
3GIC
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BU of 3gic by Molmil
Structure of thrombin mutant delta(146-149e) in the free form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain
Authors:Bah, A, Carrell, C.J, Chen, Z, Gandhi, P.S, Di Cera, E.
Deposit date:2009-03-05
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Stabilization of the E* form turns thrombin into an anticoagulant.
J.Biol.Chem., 284, 2009
6CQW
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BU of 6cqw by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(-) and HI-6
Descriptor: 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, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ...
Authors:Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J.
Deposit date:2018-03-16
Release date:2018-12-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
3KLH
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BU of 3klh by Molmil
Crystal structure of AZT-Resistant HIV-1 Reverse Transcriptase crosslinked to post-translocation AZTMP-Terminated DNA (COMPLEX P)
Descriptor: DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), MAGNESIUM ION, ...
Authors:Tu, X, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
3KYB
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BU of 3kyb by Molmil
Structure of UDP-galactopyranose mutase bound to flavin mononucleotide
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Probable UDP-galactopyranose mutase
Authors:Gruber, T.D, Dimond, M.C, Kiessling, L.L, Forest, K.T.
Deposit date:2009-12-05
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of UDP-galactopyranose mutase bound to flavin mononucleotide
To be Published
3GY0
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BU of 3gy0 by Molmil
Crystal structure of putatitve short chain dehydrogenase FROM SHIGELLA FLEXNERI 2A STR. 301 complexed with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, dehydrogenase
Authors:Malashkevich, V.N, Toro, R, Morano, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-04-03
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of putatitve short chain dehydrogenase FROM SHIGELLA FLEXNERI 2A STR. 301 complexed with NADP
To be Published
3GHN
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BU of 3ghn by Molmil
Crystal structure of the exosite-containing fragment of human ADAMTS13 (form-2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A disintegrin and metalloproteinase with thrombospondin motifs 13, ...
Authors:Akiyama, M, Takeda, S, Kokame, K, Takagi, J, Miyata, T.
Deposit date:2009-03-04
Release date:2009-10-27
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of the non-catalytic domains of ADAMTS13 reveal multiple discontinuous exosites for von Willebrand factor
To be Published
3GYY
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BU of 3gyy by Molmil
The ectoine binding protein of the TeaABC TRAP transporter TeaA in the Apo-State
Descriptor: Periplasmic substrate binding protein, ZINC ION
Authors:Kuhlmann, S.I, Terwisscha Van Scheltinga, A.C, Ziegler, C.
Deposit date:2009-04-06
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evidence for an allosteric mechanism of substrate release from membrane-transporter accessory binding proteins
Proc.Natl.Acad.Sci.USA, 108, 2011
6GWG
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BU of 6gwg by Molmil
Alpha-galactosidase from Thermotoga maritima in complex with cyclohexene-based carbasugar mimic of galactose covalently linked to the nucleophile
Descriptor: (1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol, Alpha-galactosidase, GLYCEROL, ...
Authors:Gloster, T.M, Oehler, V.
Deposit date:2018-06-24
Release date:2018-08-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
3GI8
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BU of 3gi8 by Molmil
Crystal Structure of ApcT K158A Transporter Bound to 7F11 Monoclonal Fab Fragment
Descriptor: 7F11 Anti-ApcT Monoclonal Fab Heavy Chain, 7F11 Anti-ApcT Monoclonal Fab Light Chain, Uncharacterized protein MJ0609
Authors:Shaffer, P.L, Goehring, A.S, Shankaranarayanan, A, Gouaux, E, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2009-03-05
Release date:2009-08-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure and mechanism of a na+-independent amino Acid transporter.
Science, 325, 2009

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