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4YMT
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BU of 4ymt by Molmil
Crystal structure of an amino acid ABC transporter complex with arginines
Descriptor: ABC-type amino acid transport system, permease component, ABC-type polar amino acid transport system, ...
Authors:Ge, J, Yu, J, Yang, M.
Deposit date:2015-03-07
Release date:2015-04-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Structural basis for substrate specificity of an amino acid ABC transporter
Proc.Natl.Acad.Sci.USA, 112, 2015
5H55
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BU of 5h55 by Molmil
Mdm12 from K. lactis
Descriptor: Mitochondrial distribution and morphology protein 12
Authors:Kawano, S, Quinbara, S.
Deposit date:2016-11-04
Release date:2017-11-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
7BR2
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BU of 7br2 by Molmil
BT4096 a gut microbial diltiazem-metabolizing enzyme
Descriptor: Lipolytic enzyme, G-D-S-L family
Authors:Ko, T.-P, Chen, C.-C, Guo, R.-T.
Deposit date:2020-03-26
Release date:2020-05-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of a gut microbial diltiazem-metabolizing enzyme suggests possible substrate binding mode.
Biochem.Biophys.Res.Commun., 527, 2020
5NN1
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BU of 5nn1 by Molmil
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1)
Descriptor: Serine/threonine-protein kinase PLK1
Authors:Kunciw, D.L, Rossmann, M, De Fusco, C, Spring, D.R, Hyvonen, M.
Deposit date:2017-04-07
Release date:2018-02-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.785 Å)
Cite:Developing peptidic inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
To Be Published
6TII
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BU of 6tii by Molmil
Crystal structure of penicillin-binding protein 2 from Yersinia pestis
Descriptor: BROMIDE ION, Peptidoglycan D,D-transpeptidase MrdA
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The structure of penicillin-binding protein 2 from Yersinia pestis
To Be Published
5FZ5
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BU of 5fz5 by Molmil
Transcription initiation complex structures elucidate DNA opening (CC)
Descriptor: DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ...
Authors:Plaschka, C, Hantsche, M, Dienemann, C, Burzinski, C, Plitzko, J, Cramer, P.
Deposit date:2016-03-10
Release date:2016-05-18
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.8 Å)
Cite:Transcription Initiation Complex Structures Elucidate DNA Opening
Nature, 533, 2016
5NBE
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BU of 5nbe by Molmil
[Ru(TAP)2(dppz-11-CN)]2+ bound to d(TCGGCGCCGA)2
Descriptor: BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), lambda-[Ru(tap2-dppz-CN)]2+
Authors:McQuaid, K.T, Hall, J.P, Cardin, C.J.
Deposit date:2017-03-01
Release date:2018-03-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:X-ray Crystal Structures Show DNA Stacking Advantage of Terminal Nitrile Substitution in Ru-dppz Complexes.
Chemistry, 24, 2018
5FUE
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BU of 5fue by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with 3- benzamido-benzohydroxamate
Descriptor: 3-(benzoylamino)-N-oxobenzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Marek, M, Romier, C.
Deposit date:2016-01-26
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structure-Based Design and Synthesis of Novel Inhibitors Targeting Hdac8 from Schistosoma Mansoni for the Treatment of Schistosomiasis.
J.Med.Chem., 59, 2016
4ZIY
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BU of 4ziy by Molmil
Structure of UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanyl ligase from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-04-28
Release date:2015-05-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanyl ligase from Acinetobacter baumannii
to be published
4ZM4
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BU of 4zm4 by Molmil
Complex structure of PctV K276R mutant with PMP and 3-dehydroshkimate
Descriptor: (3E,4R,5R)-4,5-dihydroxy-3-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid, Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Hirayama, A, Miyanaga, A, Kudo, F, Eguchi, T.
Deposit date:2015-05-02
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism-Based Trapping of the Quinonoid Intermediate by Using the K276R Mutant of PLP-Dependent 3-Aminobenzoate Synthase PctV in the Biosynthesis of Pactamycin.
Chembiochem, 16, 2015
5NM6
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BU of 5nm6 by Molmil
Chicken GRIFIN (crystallisation pH: 4.6)
Descriptor: Galectin
Authors:Ruiz, F.M, Romero, A.
Deposit date:2017-04-05
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.458 Å)
Cite:Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
6HPH
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BU of 6hph by Molmil
Crystal structure of human Pif1 helicase in complex with AMP-PNP
Descriptor: ATP-dependent DNA helicase PIF1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Levdikov, V.M, Dehghani-Tafti, S, Bax, B.D, Sanders, C.M, Antson, A.A.
Deposit date:2018-09-20
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase.
Nucleic Acids Res., 47, 2019
6T2L
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BU of 6t2l by Molmil
Streptavidin variants harbouring an artificial organocatalyst based cofactor
Descriptor: 1,2-ETHANEDIOL, 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, GLYCEROL, ...
Authors:Lechner, H, Hocker, B.
Deposit date:2019-10-09
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Chembiochem, 22, 2021
5NMR
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BU of 5nmr by Molmil
Monomeric mouse Sortilin extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Leloup, N.O.L, Loessl, P, Meijer, D.H.M, Heck, A.J.R, Thies-Weesie, D.M.E, Janssen, B.J.C.
Deposit date:2017-04-07
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
5NMZ
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BU of 5nmz by Molmil
human Neurturin (97-197)
Descriptor: GLYCEROL, Neurturin
Authors:Bigalke, J.M, Sandmark, J, Roth, R.
Deposit date:2017-04-07
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
6HPV
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BU of 6hpv by Molmil
Crystal structure of mouse fetuin-B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B
Authors:Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L.
Deposit date:2018-09-22
Release date:2019-02-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
5FK2
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BU of 5fk2 by Molmil
SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is GG
Descriptor: BARIUM ION, S-ADENOSYLMETHIONINE, SAM-I RIBOSWITCH
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2015-10-14
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Nucleic Acids Res., 44, 2016
6T5W
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BU of 6t5w by Molmil
Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine Derivative (cocrystallizaton at 291 K)
Descriptor: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin, ...
Authors:Ngo, K, Heine, A, Klebe, G.
Deposit date:2019-10-17
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
5N48
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BU of 5n48 by Molmil
Structure of Anticalin N9B in complex with extra-domain B of human oncofetal fibronectin
Descriptor: Fibronectin, Neutrophil gelatinase-associated lipocalin
Authors:Schiefner, A, Skerra, A.
Deposit date:2017-02-10
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Anticalins Reveal High Plasticity in the Mode of Complex Formation with a Common Tumor Antigen.
Structure, 26, 2018
6HAL
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BU of 6hal by Molmil
Human carbonmonoxy hemoglobin SFX dataset
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I.
Deposit date:2018-08-07
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
4Z53
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BU of 4z53 by Molmil
Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
Descriptor: DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, E-site DNA, MAGNESIUM ION, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-04-02
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
6JDR
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BU of 6jdr by Molmil
Crystal structure of methylated PRRSV nsp10 (helicase)
Descriptor: PP1b, SULFATE ION, ZINC ION
Authors:Deng, Z, Tang, C, Chen, Z.
Deposit date:2019-02-02
Release date:2020-02-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
5NC9
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BU of 5nc9 by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2,6-diamino-N-hydroxyhexanamide
Descriptor: (2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide, 1,2-ETHANEDIOL, CITRIC ACID, ...
Authors:Giastas, P, Andreou, A, Eliopoulos, E.E.
Deposit date:2017-03-03
Release date:2018-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
6TAN
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BU of 6tan by Molmil
X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17)
Descriptor: 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Hillig, R.C, Eis, K, Badock, V.
Deposit date:2019-10-30
Release date:2020-04-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C.
Chemmedchem, 15, 2020
6TOL
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BU of 6tol by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 25a
Descriptor: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein, ...
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2019-12-11
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020

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