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5IFH
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BU of 5ifh by Molmil
Crystal structure of the BCR Fab fragment from subset #2 case P11475
Descriptor: Heavy chain of the Fab fragment from BCR derived from the P11475 CLL clone, Light chain of the Fab fragment from BCR derived from the P11475 CLL clone
Authors:Minici, C, Degano, M.
Deposit date:2016-02-26
Release date:2017-03-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.293 Å)
Cite:Distinct homotypic B-cell receptor interactions shape the outcome of chronic lymphocytic leukaemia.
Nat Commun, 8, 2017
5VJ7
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BU of 5vj7 by Molmil
Ferredoxin NADP Oxidoreductase (Xfn)
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP(+) reductase subunit alpha, ...
Authors:Zadvornyy, O.A, Nguyen, D.M.N, Schut, G.J, Lipscomb, G.L, Tokmina-Lukaszewska, M, Adams, M.W.W, Peters, J.W.
Deposit date:2017-04-18
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Two functionally distinct NADP(+)-dependent ferredoxin oxidoreductases maintain the primary redox balance of Pyrococcus furiosus.
J. Biol. Chem., 292, 2017
5I5H
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BU of 5i5h by Molmil
Ecoli global domain 245-586
Descriptor: Inner membrane protein YejM
Authors:Dong, C, Dong, H.
Deposit date:2016-02-15
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
7LQC
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BU of 7lqc by Molmil
X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 4 (merged)
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-13
Release date:2022-02-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
5VGC
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BU of 5vgc by Molmil
Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Borek, D, Valleau, D, Skarina, T, Jobin, M.C, Wawrzak, Z, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-04-10
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai
To Be Published
5VK7
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BU of 5vk7 by Molmil
aspartate aminotransferase pH 4.0
Descriptor: Aspartate aminotransferase, cytoplasmic
Authors:Dajnowicz, S, Kovalevsky, A.Y, Mueser, T.C.
Deposit date:2017-04-21
Release date:2017-11-01
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme.
Nat Commun, 8, 2017
7LV4
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BU of 7lv4 by Molmil
Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H97A, crystallized in the presence of Cu(II)
Descriptor: CALCIUM ION, COPPER (II) ION, HEME C, ...
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2021-02-23
Release date:2022-03-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-guided metal selectivity in malleable protein interface mediated by single disulfide bond
To Be Published
7LNH
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BU of 7lnh by Molmil
S-adenosylmethionine synthetase co-crystallized with UppNHp
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid, 1,2-ETHANEDIOL, S-adenosylmethionine synthase isoform type-2
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
5VLA
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BU of 5vla by Molmil
Short PCSK9 delta-P' complex with Fusion2 peptide
Descriptor: CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-MET-PRO-TRP-ASN-LEU-VAL-ARG-ILE-GLY-LEU-LEU
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2017-04-25
Release date:2017-08-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5I6I
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BU of 5i6i by Molmil
Crystal structure of a dBCCP-variant of Chaetomium thermophilum acetyl-CoA carboxylase
Descriptor: Acetyl-CoA carboxylase-like protein,Acetyl-CoA carboxylase-like protein,Acetyl-CoA carboxylase-like protein
Authors:Hunkeler, M, Stuttfeld, E, Hagmann, A, Imseng, S, Maier, T.
Deposit date:2016-02-16
Release date:2016-04-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (8.4 Å)
Cite:The dynamic organization of fungal acetyl-CoA carboxylase.
Nat Commun, 7, 2016
5VGX
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BU of 5vgx by Molmil
Structure of the C. botulinum neurotoxin serotype A with Hg bound
Descriptor: ACETATE ION, Botulinum neurotoxin type A, MERCURY (II) ION
Authors:Carolan, J.P, Allen, K.N.
Deposit date:2017-04-11
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Metal Ions Effectively Ablate the Action of Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
5VHJ
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BU of 5vhj by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome non-ATPase regulatory subunit 10, 26S proteasome non-ATPase regulatory subunit 2, 26S proteasome regulatory subunit 10B, ...
Authors:Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
Deposit date:2017-04-13
Release date:2017-08-23
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (8.5 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
5VLG
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BU of 5vlg by Molmil
Crystal structure of EilR in complex with malachite green
Descriptor: MALACHITE GREEN, Regulatory protein TetR
Authors:Pereira, J.H, Ruegg, T.L, Chen, J, Novichkov, P, DeGiovani, A, Tomaleri, G.P, Singer, S, Simmons, B, Thelen, M, Adams, P.D.
Deposit date:2017-04-25
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.932 Å)
Cite:Jungle Express is a versatile repressor system for tight transcriptional control.
Nat Commun, 9, 2018
5IIL
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BU of 5iil by Molmil
Crystal structure of the post-catalytic nick complex of DNA polymerase lambda with a templating 8-oxo-dG and incorporated dA
Descriptor: CITRIC ACID, DNA (5'-D(*CP*AP*GP*TP*AP*AP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*(8OG)P*TP*AP*CP*TP*G)-3'), ...
Authors:Burak, M.J, Guja, K.E, Garcia-Diaz, M.
Deposit date:2016-03-01
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
1S78
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BU of 1s78 by Molmil
Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab Fab heavy chain, ...
Authors:Franklin, M.C, Carey, K.D, Vajdos, F.F, Leahy, D.J, de Vos, A.M, Sliwkowski, M.X.
Deposit date:2004-01-29
Release date:2004-04-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex.
Cancer Cell, 5, 2004
7LV1
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BU of 7lv1 by Molmil
Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Cu(II)
Descriptor: CALCIUM ION, COPPER (II) ION, HEME C, ...
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2021-02-23
Release date:2022-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Overcoming universal restrictions on metal selectivity by protein design.
Nature, 603, 2022
5IA4
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BU of 5ia4 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880)
Descriptor: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Authors:Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2016-02-21
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
7LVN
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BU of 7lvn by Molmil
Solution structure of tarantula toxin omega-Avsp1a
Descriptor: Omega-Avsp1a
Authors:Chin, Y.K.Y, Herzig, V, King, G.F.
Deposit date:2021-02-26
Release date:2022-03-02
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:The Tarantula Toxin omega-Avsp1a Specifically Inhibits Human Ca V 3.1 and Ca V 3.3 via the Extracellular S3-S4 Loop of the Domain 1 Voltage-Sensor.
Biomedicines, 10, 2022
5IIT
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BU of 5iit by Molmil
Structure of SPX domain of the yeast inorganic polyphophate polymerase Vtc4 crystallized by carrier-driven crystallization in fusion with the macro domain of human histone macroH2A1.1
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Wild, R, Hothorn, M.
Deposit date:2016-03-01
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.134 Å)
Cite:Control of eukaryotic phosphate homeostasis by inositol polyphosphate sensor domains.
Science, 352, 2016
5VHT
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BU of 5vht by Molmil
E. coli chorismate mutase with orthogonal interface containing p-benzoyl phenylalanine
Descriptor: Chorismate Mutase
Authors:Koh, M, Nasertorabi, F, Han, G.W, Stevens, R.C, Shultz, P.G.
Deposit date:2017-04-13
Release date:2017-05-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Generation of an Orthogonal Protein-Protein Interface with a Noncanonical Amino Acid.
J. Am. Chem. Soc., 139, 2017
5IJK
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BU of 5ijk by Molmil
Crystal structure of anti-gliadin 1002-1E03 Fab fragment in complex of peptide PLQPEQPFP
Descriptor: 1E03 Fab fragment heavy chain, 1E03 Fab fragment light chain, SULFATE ION, ...
Authors:Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M.
Deposit date:2016-03-02
Release date:2017-03-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
5VIM
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BU of 5vim by Molmil
Crystal structure of the Zika virus NS5 methyltransferase.
Descriptor: Methyltransferase, S-ADENOSYLMETHIONINE, SULFATE ION
Authors:Bukrejewska, M, Derewenda, Z.S, Derewenda, U.
Deposit date:2017-04-17
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the methyltransferase and helicase from the ZIKA 1947 MR766 Uganda strain.
Acta Crystallogr D Struct Biol, 73, 2017
5IK0
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BU of 5ik0 by Molmil
Tobacco 5-epi-aristolochene synthase with FPP
Descriptor: 5-epi-aristolochene synthase, FARNESYL DIPHOSPHATE, MAGNESIUM ION
Authors:Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P.
Deposit date:2016-03-03
Release date:2016-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
7M0N
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BU of 7m0n by Molmil
The crystal structure of wild type PA endonuclease (A/Vietnam/1203/2004) in complex with Raltegravir
Descriptor: GLYCEROL, MANGANESE (II) ION, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide, ...
Authors:Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W.
Deposit date:2021-03-11
Release date:2022-03-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
5IK9
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BU of 5ik9 by Molmil
Tobacco 5-epi-aristolochene with farnesyl monophosphate
Descriptor: (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 5-epi-aristolochene synthase, MAGNESIUM ION
Authors:Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P.
Deposit date:2016-03-03
Release date:2016-10-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016

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