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2FJP
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BU of 2fjp by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM, ...
Authors:Scapin, G, Patel, S.B, Becker, J.W.
Deposit date:2006-01-03
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
2V3I
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BU of 2v3i by Molmil
Hypocrea jecorina Cel7A in complex with (R)-dihydroxy-phenanthrenolol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL, COBALT (II) ION, ...
Authors:Fagerstrom, A, Sandgren, M, Berg, U, Stahlberg, J.
Deposit date:2007-06-18
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:A Study of the Chiral Recognition Mechanisms of Cellobiohydrolase Cel7A for Ligands Based on the Beta-Blocker Motif: Crystal Structures, Microcalorimetry and Computational Modelling of Cel7A-Inhibitor Complexes.
To be Published
5Z1N
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BU of 5z1n by Molmil
Crystal structure of C terminal region of G-protein interacting protein 1 (Gip1) from Dictyostelium discoideum
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, G-protein interacting protein 1, ...
Authors:Miyagawa, T, Koteishi, H, Kamimura, Y, Miyanaga, Y, Takeshita, K, Nakagawa, A, Ueda, M.
Deposit date:2017-12-27
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Structural basis of Gip1 for cytosolic sequestration of G protein in wide-range chemotaxis
Nat Commun, 9, 2018
1JXP
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BU of 1jxp by Molmil
BK STRAIN HEPATITIS C VIRUS (HCV) NS3-NS4A
Descriptor: NS3 SERINE PROTEASE, NS4A, ZINC ION
Authors:Yan, Y, Munshi, S, Chen, Z.
Deposit date:1997-08-21
Release date:1998-01-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form.
Protein Sci., 7, 1998
3E6T
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BU of 3e6t by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C118901
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-15
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
4HPA
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BU of 4hpa by Molmil
Crystal structure of Nitrophorin 4 from Rhodnius prolixus Complexed with sulfide ion at pH 7.4
Descriptor: HYDROSULFURIC ACID, Nitrophorin-4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nishikawa, K, Ogata, H, Knipp, M.
Deposit date:2012-10-23
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Complexes of ferriheme nitrophorin 4 with low-molecular weight thiol(ate)s occurring in blood plasma
J.Inorg.Biochem., 122, 2013
5C3I
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BU of 5c3i by Molmil
Crystal structure of the quaternary complex of histone H3-H4 heterodimer with chaperone ASF1 and the replicative helicase subunit MCM2
Descriptor: DNA replication licensing factor MCM2,MCM2, Histone H3.1, Histone H4, ...
Authors:Wang, H, Wang, M, Yang, N, Xu, R.M.
Deposit date:2015-06-17
Release date:2015-07-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the quaternary complex of histone H3-H4 heterodimer with chaperone ASF1 and the replicative helicase subunit MCM2
Protein Cell, 6, 2015
4ZC6
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BU of 4zc6 by Molmil
Crystal Structure of human GGT1 in complex with Serine Borate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Gamma-glutamyltranspeptidase 1 heavy chain, ...
Authors:Terzyan, S, Hanigan, M.
Deposit date:2015-04-15
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
2FKW
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BU of 2fkw by Molmil
Structure of LH2 from Rps. acidophila crystallized in lipidic mesophases
Descriptor: BACTERIOCHLOROPHYLL A, LAURYL DIMETHYLAMINE-N-OXIDE, Light-harvesting protein B-800/850, ...
Authors:Papiz, M.Z, Cherezov, V, Clogston, J, Caffrey, M.
Deposit date:2006-01-05
Release date:2006-03-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Room to Move: Crystallizing Membrane Proteins in Swollen Lipidic Mesophases
J.Mol.Biol., 357, 2006
2FL8
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BU of 2fl8 by Molmil
Fitting of the gp10 trimer structure into the cryoEM map of the bacteriophage T4 baseplate in the hexagonal conformation.
Descriptor: Baseplate structural protein Gp10
Authors:Leiman, P.G, Shneider, M.M, Mesyanzhinov, V.V, Rossmann, M.G.
Deposit date:2006-01-05
Release date:2006-04-04
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Evolution of bacteriophage tails: structure of t4 gene product 10
J.Mol.Biol., 358, 2006
4ZCH
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BU of 4zch by Molmil
Single-chain human APRIL-BAFF-BAFF Heterotrimer
Descriptor: TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, Tumor necrosis factor ligand superfamily member 13,Tumor necrosis factor ligand superfamily member 13B,Tumor necrosis factor ligand superfamily member 13B
Authors:Lammens, A, Jiang, X, Maskos, K, Schneider, P.
Deposit date:2015-04-16
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Stoichiometry of Heteromeric BAFF and APRIL Cytokines Dictates Their Receptor Binding and Signaling Properties.
J.Biol.Chem., 290, 2015
1JZ5
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BU of 1jz5 by Molmil
E. COLI (lacZ) BETA-GALACTOSIDASE IN COMPLEX WITH D-GALCTOPYRANOSYL-1-ON
Descriptor: Beta-Galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ...
Authors:Juers, D.H, Matthews, B.W.
Deposit date:2001-09-13
Release date:2001-12-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase
Biochemistry, 40, 2001
4ZDI
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BU of 4zdi by Molmil
Crystal structure of the M. tuberculosis CTP synthase PyrG (apo form)
Descriptor: CALCIUM ION, CTP synthase
Authors:Bellinzoni, M, Barilone, N, Alzari, P.M.
Deposit date:2015-04-17
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Chem.Biol., 22, 2015
2ES2
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BU of 2es2 by Molmil
Crystal Structure Analysis of the Bacillus Subtilis Cold Shock Protein Bs-CspB in Complex with Hexathymidine
Descriptor: 5'-D(*TP*TP*TP*TP*TP*T)-3', CALCIUM ION, Cold shock protein cspB
Authors:Max, K.E.A, Bienert, M, Heinemann, U.
Deposit date:2005-10-25
Release date:2006-09-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:T-rich DNA single strands bind to a preformed site on the bacterial cold shock protein Bs-CspB.
J.Mol.Biol., 360, 2006
4ZGJ
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BU of 4zgj by Molmil
Double Mutant H80A/H81A of Fe-Type Nitrile Hydratase from Comamonas testosteroni Ni1
Descriptor: FE (III) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit
Authors:Wu, R, Martinez, S, Holz, R, Liu, D.
Deposit date:2015-04-23
Release date:2015-07-01
Last modified:2015-07-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analyzing the catalytic role of active site residues in the Fe-type nitrile hydratase from Comamonas testosteroni Ni1.
J.Biol.Inorg.Chem., 20, 2015
1MQ2
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BU of 1mq2 by Molmil
Human DNA Polymerase Beta Complexed With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine and dAMP
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(2DA))-3', ...
Authors:Krahn, J.M, Beard, W.A, Miller, H, Grollman, A.P, Wilson, S.H.
Deposit date:2002-09-13
Release date:2003-01-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of DNA Polymerase beta with the Mutagenic DNA Lesion 8-oxodeoxyguanine Reveals Structural Insights into its Coding Potential
Structure, 11, 2003
1MIO
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BU of 1mio by Molmil
X-RAY CRYSTAL STRUCTURE OF THE NITROGENASE MOLYBDENUM-IRON PROTEIN FROM CLOSTRIDIUM PASTEURIANUM AT 3.0 ANGSTROMS RESOLUTION
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE-MO-S CLUSTER, ...
Authors:Kim, J, Woo, D, Rees, D.C.
Deposit date:1993-03-24
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray crystal structure of the nitrogenase molybdenum-iron protein from Clostridium pasteurianum at 3.0-A resolution.
Biochemistry, 32, 1993
4ZIM
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BU of 4zim by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR
Descriptor: 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-04-28
Release date:2015-06-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5C09
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BU of 5c09 by Molmil
HLA class I histocompatibility antigen
Descriptor: 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.475 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
2VGH
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BU of 2vgh by Molmil
HEPARIN-BINDING DOMAIN FROM VASCULAR ENDOTHELIAL GROWTH FACTOR, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: VASCULAR ENDOTHELIAL GROWTH FACTOR-165
Authors:Fairbrother, W.J, Champe, M.A, Christinger, H.W, Keyt, B.A, Starovasnik, M.A.
Deposit date:1997-12-17
Release date:1998-04-08
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of the heparin-binding domain of vascular endothelial growth factor.
Structure, 6, 1998
2VLO
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BU of 2vlo by Molmil
K97A mutant of E9 DNase domain in complex with Im9
Descriptor: COLICIN E9, COLICIN-E9 IMMUNITY PROTEIN, SULFATE ION
Authors:Keeble, A.H, Joachimiak, L.A, Mate, M.J, Meenan, N, Kirkpatrick, N, Baker, D, Kleanthous, C.
Deposit date:2008-01-15
Release date:2008-05-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental and Computational Analyses of the Energetic Basis for Dual Recognition of Immunity Proteins by Colicin Endonucleases.
J.Mol.Biol., 379, 2008
5C37
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BU of 5c37 by Molmil
Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor
Descriptor: 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one, CHLORIDE ION, Fatty acid synthase, ...
Authors:Schubert, C, Milligan, C.M, Vo, K, Grasberger, B.
Deposit date:2015-06-17
Release date:2016-06-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy.
Bioorg.Med.Chem.Lett., 28, 2018
4ZJK
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BU of 4zjk by Molmil
FIVE MINUTES IRON LOADED HUMAN H FERRITIN
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2015-04-29
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
1MMO
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BU of 1mmo by Molmil
CRYSTAL STRUCTURE OF A BACTERIAL NON-HAEM IRON HYDROXYLASE THAT CATALYSES THE BIOLOGICAL OXIDATION OF METHANE
Descriptor: ACETIC ACID, FE (III) ION, METHANE MONOOXYGENASE HYDROLASE (ALPHA CHAIN), ...
Authors:Rosenzweig, A.C, Frederick, C.A, Lippard, S.J, Nordlund, P.
Deposit date:1994-02-22
Release date:1995-02-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a bacterial non-haem iron hydroxylase that catalyses the biological oxidation of methane.
Nature, 366, 1993
2VB1
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BU of 2vb1 by Molmil
HEWL at 0.65 angstrom resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, LYSOZYME C, ...
Authors:Wang, J, Dauter, M, Alkire, R, Joachimiak, A, Dauter, Z.
Deposit date:2007-09-05
Release date:2007-09-18
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (0.65 Å)
Cite:Triclinic Lysozyme at 0.65 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007

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