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5DF1
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BU of 5df1 by Molmil
Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and geranic acid
Descriptor: (2E)-3,7-dimethylocta-2,6-dienoic acid, 1,2-ETHANEDIOL, IMIDAZOLE, ...
Authors:Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E.
Deposit date:2015-08-26
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
1GL3
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BU of 1gl3 by Molmil
ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE IN COMPLEX WITH NADP AND SUBSTRATE ANALOGUE S-METHYL CYSTEINE SULFOXIDE
Descriptor: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE, CYSTEINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hadfield, A.T, Kryger, G, Ouyang, J, Ringe, D, Petsko, G.A, Viola, R.E.
Deposit date:2001-08-23
Release date:2001-11-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Active Site Analysis of the Potential Antimicrobial Target Aspartate Semialdehyde Dehydrogenase.
Biochemistry, 40, 2001
6ZLF
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BU of 6zlf by Molmil
Aerobic crystal structure of F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution under 125 bars of krypton
Descriptor: CHLORIDE ION, Coenzyme F420H2 oxidase (FprA), FLAVIN MONONUCLEOTIDE, ...
Authors:Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S.
Deposit date:2020-06-30
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase.
Chem.Commun.(Camb.), 56, 2020
6ZCV
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BU of 6zcv by Molmil
Crystal structure of lanthanide-dependent alcohol dehydrogenase PedH from Pseudomonas putida KT2440
Descriptor: CALCIUM ION, GLYCEROL, PRASEODYMIUM ION, ...
Authors:Bange, G, Lepak, A, Elsayed, E.M.
Deposit date:2020-06-12
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineered PQQ-Dependent Alcohol Dehydrogenase for the Oxidation of 5-(Hydroxymethyl)furoic Acid
Acs Catalysis, 2020
1XJA
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BU of 1xja by Molmil
Apo form of the Y31V mutant dimerization domain fragment of Escherichia coli regulatory protein AraC
Descriptor: 1,2-ETHANEDIOL, Arabinose operon regulatory protein
Authors:Weldon, J.E, Larkin, C, Schleif, R.F.
Deposit date:2004-09-23
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and properties of a truely apo form of AraC dimerization domain.
Proteins, 66, 2007
6ZHJ
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BU of 6zhj by Molmil
3D electron diffraction structure of thermolysin from Bacillus thermoproteolyticus
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Blum, T, Housset, D, Clabbers, M.T.B, van Genderen, E, Schoehn, G, Ling, W.L, Abrahams, J.P.
Deposit date:2020-06-23
Release date:2021-01-27
Last modified:2024-01-24
Method:ELECTRON CRYSTALLOGRAPHY (3.26 Å)
Cite:Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals.
Acta Crystallogr D Struct Biol, 77, 2021
3P70
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BU of 3p70 by Molmil
Structural basis of thrombin-mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, ...
Authors:Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P.
Deposit date:2010-10-11
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction.
Blood, 117, 2011
6W8U
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BU of 6w8u by Molmil
Cryo-EM of the Pyrobaculum arsenaticum pilus
Descriptor: pilin
Authors:Wang, F, Baquero, D.P, Su, Z, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H.
Deposit date:2020-03-21
Release date:2020-07-08
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The structures of two archaeal type IV pili illuminate evolutionary relationships.
Nat Commun, 11, 2020
6ZK8
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BU of 6zk8 by Molmil
Native crystal structure of anaerobic F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution
Descriptor: Coenzyme F420H2 oxidase (FprA), DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S.
Deposit date:2020-06-30
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase.
Chem.Commun.(Camb.), 56, 2020
1GL4
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BU of 1gl4 by Molmil
Nidogen-1 G2/Perlecan IG3 Complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BASEMENT MEMBRANE-SPECIFIC HEPARAN SULFATE PROTEOGLYCAN CORE PROTEIN, NIDOGEN-1, ...
Authors:Kvansakul, M, Hopf, M, Ries, A, Timpl, R, Hohenester, E.
Deposit date:2001-08-23
Release date:2001-11-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the High-Affinity Interaction of Nidogen-1 with Immunoglobulin-Like Domain 3 of Perlecan
Embo J., 20, 2001
1KHQ
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BU of 1khq by Molmil
ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX
Descriptor: Papain, peptidic inhibitor
Authors:Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M.
Deposit date:2001-11-30
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor
J.Pept.Res., 64, 2004
6Z84
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BU of 6z84 by Molmil
CK2 alpha bound to chemical probe SGC-CK2-1 derivative
Descriptor: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide
Authors:Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-06-02
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of a potent and selective chemical probe for the pleiotropic kinase CK2.
Cell Chem Biol, 28, 2021
1GCB
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BU of 1gcb by Molmil
GAL6, YEAST BLEOMYCIN HYDROLASE DNA-BINDING PROTEASE (THIOL)
Descriptor: GAL6 HG (EMTS) DERIVATIVE, GLYCEROL, MERCURY (II) ION, ...
Authors:Joshua-Tor, L, Xu, H.E, Johnston, S.A, Rees, D.C.
Deposit date:1995-07-18
Release date:1995-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a conserved protease that binds DNA: the bleomycin hydrolase, Gal6.
Science, 269, 1995
7UVL
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BU of 7uvl by Molmil
IgA1 Protease with IgA1 substrate
Descriptor: Immunoglobulin alpha-1 heavy chain, Immunoglobulin alpha-1 heavy constant, Immunoglobulin alpha-1 light chain, ...
Authors:Eisenmesser, Z.E, Zheng, H.
Deposit date:2022-05-02
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:A substrate-induced gating mechanism is conserved among Gram-positive IgA1 metalloproteases.
Commun Biol, 5, 2022
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
Descriptor: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Puleo, D.E.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
6W6N
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BU of 6w6n by Molmil
K106L/A131E mutant of cytochrome P460 from Nitrosomonas sp. AL212
Descriptor: Cytochrome P460, HEME C
Authors:Coleman, R.E, Lancaster, K.M.
Deposit date:2020-03-17
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Heme-Lys Cross-Link in Cytochrome P460 Promotes Catalysis by Enforcing Secondary Coordination Sphere Architecture.
Biochemistry, 59, 2020
1KHP
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BU of 1khp by Molmil
Monoclinic form of papain/ZLFG-DAM covalent complex
Descriptor: Papain, peptidic inhibitor
Authors:Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M.
Deposit date:2001-11-30
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor
J.Pept.Res., 64, 2004
4MCM
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BU of 4mcm by Molmil
Human SOD1 C57S Mutant, As-isolated
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Sea, K, Sohn, S.H, Durazo, A, Sheng, Y, Shaw, B, Cao, X, Taylor, A.B, Whitson, L.J, Holloway, S.P, Hart, P.J, Cabelli, D.E, Gralla, E.B, Valentine, J.S.
Deposit date:2013-08-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into the role of the unusual disulfide bond in copper-zinc superoxide dismutase.
J.Biol.Chem., 290, 2015
5IIK
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BU of 5iik by Molmil
Crystal structure of the post-catalytic nick complex of DNA polymerase lambda with a templating 8-oxo-dG and incorporated dC
Descriptor: CITRIC ACID, DNA (5'-D(*CP*AP*GP*TP*AP*CP*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 (1.982 Å)
Cite:A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
6ZHO
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BU of 6zho by Molmil
Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Southall, S.M.
Deposit date:2020-06-23
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
7ZSD
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BU of 7zsd by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, local
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-06
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
6YSK
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BU of 6ysk by Molmil
1-phenylpyrroles and 1-enylpyrrolidines as inhibitors of Notum
Descriptor: (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Y, Jones, E.Y, Fish, P.
Deposit date:2020-04-22
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
2UWE
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BU of 2uwe by Molmil
Large CDR3a loop alteration as a function of MHC mutation
Descriptor: AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, BETA-2-MICROGLOBULIN, ...
Authors:Miller, P.J, Pazy, Y, Conti, B, Riddle, D, Biddison, W.E, Appella, E, Collins, E.J.
Deposit date:2007-03-20
Release date:2007-09-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding.
J.Mol.Biol., 373, 2007
5ELV
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BU of 5elv by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504-N775) in complex with glutamate and BPAM-521 at 1.92 A resolution
Descriptor: 4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ...
Authors:Krintel, C, Juknaite, L, Frydenvang, K, Kastrup, J.S.
Deposit date:2015-11-05
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GluA2.
Biophys.J., 110, 2016
7R4N
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BU of 7r4n by Molmil
Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-N-methyl-1H-indazole-3-carboxamide, FLAVIN MONONUCLEOTIDE, ...
Authors:Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2022-02-08
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
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