6C8C
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![BU of 6c8c by Molmil](/molmil-images/mine/6c8c) | Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06 | Descriptor: | 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain | Authors: | Najeeb, J, Zhou, P. | Deposit date: | 2018-01-24 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy. Cell, 178, 2019
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1KQH
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![BU of 1kqh by Molmil](/molmil-images/mine/1kqh) | NMR Solution Structure of the cis Pro30 Isomer of ACTX-Hi:OB4219 | Descriptor: | ACTX-Hi:OB4219 | Authors: | Rosengren, K.J, Wilson, D, Daly, N.L, Alewood, P.F, Craik, D.J. | Deposit date: | 2002-01-05 | Release date: | 2002-02-06 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin
from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within
its four disulfide bonds Biochemistry, 41, 2002
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6E0M
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![BU of 6e0m by Molmil](/molmil-images/mine/6e0m) | Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase | Descriptor: | DIPHOSPHATE, cGAS/DncV-like nucleotidyltransferase in E. coli homolog | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | Deposit date: | 2018-07-06 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals. Nature, 567, 2019
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3FLT
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![BU of 3flt by Molmil](/molmil-images/mine/3flt) | |
1KQI
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![BU of 1kqi by Molmil](/molmil-images/mine/1kqi) | NMR Solution Structure of the trans Pro30 Isomer of ACTX-Hi:OB4219 | Descriptor: | ACTX-Hi:OB4219 | Authors: | Rosengren, K.J, Wilson, D, Daly, N.L, Alewood, P.F, Craik, D.J. | Deposit date: | 2002-01-06 | Release date: | 2002-02-06 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin
from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within
its four disulfide bonds Biochemistry, 41, 2002
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6ITQ
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![BU of 6itq by Molmil](/molmil-images/mine/6itq) | Crystal structure of cortisol complexed with its nanobody at pH 10.5 | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, SULFATE ION, anti-cortisol camelid antibody | Authors: | Ding, Y, Ding, L.L, Wang, Z.Y, Zhong, P.Y. | Deposit date: | 2018-11-24 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.526 Å) | Cite: | Structural insights into the mechanism of single domain VHH antibody binding to cortisol. Febs Lett., 593, 2019
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2HEO
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![BU of 2heo by Molmil](/molmil-images/mine/2heo) | General Structure-Based Approach to the Design of Protein Ligands: Application to the Design of Kv1.2 Potassium Channel Blockers. | Descriptor: | 5'-D(*TP*CP*GP*CP*GP*CP*G)-3', Z-DNA binding protein 1 | Authors: | Magis, C, Gasparini, S, Charbonnier, J.B, Stura, E, Le Du, M.H, Menez, A, Cuniasse, P. | Deposit date: | 2006-06-21 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based secondary structure-independent approach to design protein ligands: Application to the design of Kv1.2 potassium channel blockers. J.Am.Chem.Soc., 128, 2006
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7ZXW
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![BU of 7zxw by Molmil](/molmil-images/mine/7zxw) | Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with the 5-[(morpholin-4-yl)methyl]quinolin-8-ol inhibitor | Descriptor: | 5-(morpholin-4-ylmethyl)quinolin-8-ol, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Cornu, J.D, Ibba, R, Roversi, P, Zitzmann, N. | Deposit date: | 2022-05-23 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint. Front Mol Biosci, 9, 2022
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1FS7
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![BU of 1fs7 by Molmil](/molmil-images/mine/1fs7) | CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES | Descriptor: | ACETATE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ... | Authors: | Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H. | Deposit date: | 2000-09-08 | Release date: | 2001-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs. J.Biol.Chem., 275, 2000
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2WHP
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![BU of 2whp by Molmil](/molmil-images/mine/2whp) | Crystal structure of acetylcholinesterase, phosphonylated by sarin and in complex with HI-6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | Authors: | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.G, Schneider, G, Pang, Y.P. | Deposit date: | 2009-05-06 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design. Plos One, 4, 2009
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2WIK
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![BU of 2wik by Molmil](/molmil-images/mine/2wik) | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-05-12 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
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6C59
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![BU of 6c59 by Molmil](/molmil-images/mine/6c59) | Chimeric Pol kappa RIR Rev1 C-terminal domain | Descriptor: | ACETATE ION, Chimeric Pol kappa RIR Rev1 C-terminal domain | Authors: | Wojtaszek, J.L, Zhou, P. | Deposit date: | 2018-01-15 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy. Cell, 178, 2019
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6E0N
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![BU of 6e0n by Molmil](/molmil-images/mine/6e0n) | Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase with GTP and Apcpp | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | Deposit date: | 2018-07-06 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals. Nature, 567, 2019
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2H9J
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![BU of 2h9j by Molmil](/molmil-images/mine/2h9j) | Structure of Hen egg white lysozyme soaked with Ni2-Xylylbicyclam | Descriptor: | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZACYCLOTETRADECANE]NI(II), CHLORIDE ION, Lysozyme C, ... | Authors: | McNae, I.W, Hunter, T.M, Sadler, P.J, Walkinshaw, M.D. | Deposit date: | 2006-06-10 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Configurations of nickel-cyclam antiviral complexes and protein recognition. Chemistry, 13, 2007
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2H9K
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![BU of 2h9k by Molmil](/molmil-images/mine/2h9k) | Structure of Hen egg white lysozyme soaked with Ni-cyclam | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL(II)(1,4,8,11-TETRAAZACYCLOTETRADECANE), ... | Authors: | McNae, I.W, Hunter, T.M, Sadler, P.J, Walkinshaw, M.D. | Deposit date: | 2006-06-10 | Release date: | 2007-04-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Configurations of nickel-cyclam antiviral complexes and protein recognition. Chemistry, 13, 2007
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5FJN
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![BU of 5fjn by Molmil](/molmil-images/mine/5fjn) | Structure of L-Amino acid deaminase from Proteus myxofaciens in complex with anthranilate | Descriptor: | 2-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, L-AMINO ACID DEAMINASE | Authors: | Motta, P, Molla, G, Pollegioni, L, Nardini, M. | Deposit date: | 2015-10-11 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Function Relationships in L-Amino Acid Deaminase, a Flavoprotein Belonging to a Novel Class of Biotechnologically Relevant Enzymes J.Biol.Chem., 291, 2016
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6E0L
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![BU of 6e0l by Molmil](/molmil-images/mine/6e0l) | Structure of Rhodothermus marinus CdnE c-UMP-AMP synthase with Apcpp and Upnpp | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | Deposit date: | 2018-07-06 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals. Nature, 567, 2019
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1TBK
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![BU of 1tbk by Molmil](/molmil-images/mine/1tbk) | |
6C78
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![BU of 6c78 by Molmil](/molmil-images/mine/6c78) | Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For Catalysis | Descriptor: | Beta-lactamase Toho-1 | Authors: | Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M, Coates, L. | Deposit date: | 2018-01-22 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | NEUTRON DIFFRACTION (1.75 Å) | Cite: | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis Acs Catalysis, 8, 2018
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5FJM
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![BU of 5fjm by Molmil](/molmil-images/mine/5fjm) | Structure of L-Amino acid deaminase from Proteus myxofaciens | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-AMINO ACID DEAMINASE | Authors: | Motta, P, Molla, G, Pollegioni, L, Nardini, M. | Deposit date: | 2015-10-11 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Function Relationships in L-Amino Acid Deaminase, a Flavoprotein Belonging to a Novel Class of Biotechnologically Relevant Enzymes J.Biol.Chem., 291, 2016
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2WKS
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![BU of 2wks by Molmil](/molmil-images/mine/2wks) | Structure of Helicobacter pylori Type II Dehydroquinase with a new carbasugar-thiophene inhibitor. | Descriptor: | (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE | Authors: | Otero, J.M, Guardado-Calvo, P, Llamas-Saiz, A.L, Prazeres, V.F.V, Tizon, L, Castedo, L, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2009-06-17 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues. J. Med. Chem., 53, 2010
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2WVK
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![BU of 2wvk by Molmil](/molmil-images/mine/2wvk) | Mannosyl-3-phosphoglycerate synthase from Thermus thermophilus HB27 apoprotein | Descriptor: | CITRATE ANION, MANNOSYL-3-PHOSPHOGLYCERATE SYNTHASE, ZINC ION | Authors: | Goncalves, S, Borges, N, Esteves, A.M, Victor, B, Soares, C.M, Santos, H, Matias, P.M. | Deposit date: | 2009-10-19 | Release date: | 2010-03-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Structural Analysis of Thermus Thermophilus Hb27 Mannosyl-3-Phosphoglycerate Synthase Provides Evidence for a Second Catalytic Metal Ion and New Insight Into the Retaining Mechanism of Glycosyltransferases. J.Biol.Chem., 285, 2010
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6JJ4
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![BU of 6jj4 by Molmil](/molmil-images/mine/6jj4) | Crystal structure of OsHXK6-apo form | Descriptor: | Hexokinase-6 | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | Deposit date: | 2019-02-25 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of OsHXK6-apo To Be Published
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5YWO
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![BU of 5ywo by Molmil](/molmil-images/mine/5ywo) | Structure of JEV-2F2 Fab complex | Descriptor: | 2F2 heavy chain, 2F2 light chain, JEV E protein, ... | Authors: | Qiu, X, Lei, Y.F, Yang, P, Gao, Q, Wang, N, Cao, L, Yuan, S, Wang, X, Xu, Z.K, Rao, Z. | Deposit date: | 2017-11-29 | Release date: | 2018-03-21 | Last modified: | 2018-09-12 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies Nat Microbiol, 3, 2018
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6CJO
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![BU of 6cjo by Molmil](/molmil-images/mine/6cjo) | Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation. | Descriptor: | Chalcone--flavonone isomerase 1, SULFATE ION | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | Deposit date: | 2018-02-26 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases Acs Catalysis, 2019
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