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5QO5
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BU of 5qo5 by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_34)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QMI
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BU of 5qmi by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure F12_2)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.671 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QN0
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BU of 5qn0 by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure G6_2)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QNI
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BU of 5qni by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_1)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.967 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QNY
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BU of 5qny by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_24)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QOF
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BU of 5qof by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_8)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.637 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QND
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BU of 5qnd by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure H7_2)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QNT
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BU of 5qnt by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_2)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QO9
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BU of 5qo9 by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_4)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
1EIT
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BU of 1eit by Molmil
NMR STUDY OF MU-AGATOXIN
Descriptor: MU-AGATOXIN-I
Authors:Omecinsky, D.O, Reily, M.D.
Deposit date:1995-12-14
Release date:1996-04-03
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Three-dimensional structure analysis of mu-agatoxins: further evidence for common motifs among neurotoxins with diverse ion channel specificities.
Biochemistry, 35, 1996
1E79
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BU of 1e79 by Molmil
Bovine F1-ATPase inhibited by DCCD (dicyclohexylcarbodiimide)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE ALPHA CHAIN HEART ISOFORM, ...
Authors:Gibbons, C, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
Deposit date:2000-08-25
Release date:2000-11-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structure of the Central Stalk in Bovine F(1)-ATPase at 2.4 A Resolution.
Nat.Struct.Biol., 7, 2000
1CD2
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BU of 1cd2 by Molmil
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1999-03-05
Release date:2000-03-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
1HFQ
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BU of 1hfq by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
1D6Z
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BU of 1d6z by Molmil
CRYSTAL STRUCTURE OF THE AEROBICALLY FREEZE TRAPPED RATE-DETERMINING CATALYTIC INTERMEDIATE OF E. COLI COPPER-CONTAINING AMINE OXIDASE.
Descriptor: 2-PHENYLETHYLAMINE, CALCIUM ION, COPPER (II) ION, ...
Authors:Wilmot, C.M, Hajdu, J, McPherson, M.J, Knowles, P.F, Phillips, S.E.V.
Deposit date:1999-10-16
Release date:2000-02-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Visualization of dioxygen bound to copper during enzyme catalysis.
Science, 286, 1999
1D6U
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BU of 1d6u by Molmil
CRYSTAL STRUCTURE OF E. COLI AMINE OXIDASE ANAEROBICALLY REDUCED WITH BETA-PHENYLETHYLAMINE
Descriptor: 2-PHENYLETHYLAMINE, CALCIUM ION, COPPER (II) ION, ...
Authors:Wilmot, C.M, Hajdu, J, McPherson, M.J, Knowles, P.F, Phillips, S.E.V.
Deposit date:1999-10-15
Release date:2000-02-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Visualization of dioxygen bound to copper during enzyme catalysis.
Science, 286, 1999
1HFP
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BU of 1hfp by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
1HFR
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BU of 1hfr by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
1ALU
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BU of 1alu by Molmil
HUMAN INTERLEUKIN-6
Descriptor: INTERLEUKIN-6, L(+)-TARTARIC ACID, SULFATE ION
Authors:Somers, W.S, Stahl, M, Seehra, J.S.
Deposit date:1997-06-03
Release date:1998-06-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9 A crystal structure of interleukin 6: implications for a novel mode of receptor dimerization and signaling.
EMBO J., 16, 1997
1D6Y
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BU of 1d6y by Molmil
CRYSTAL STRUCTURE OF E. COLI COPPER-CONTAINING AMINE OXIDASE ANAEROBICALLY REDUCED WITH BETA-PHENYLETHYLAMINE AND COMPLEXED WITH NITRIC OXIDE.
Descriptor: 2-PHENYLETHYLAMINE, CALCIUM ION, COPPER (II) ION, ...
Authors:Wilmot, C.M, Hajdu, J, McPherson, M.J, Knowles, P.F, Phillips, S.E.V.
Deposit date:1999-10-16
Release date:2000-02-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Visualization of dioxygen bound to copper during enzyme catalysis.
Science, 286, 1999
1CLS
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BU of 1cls by Molmil
CROSS-LINKED HUMAN HEMOGLOBIN DEOXY
Descriptor: HEMOGLOBIN, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ji, X, Fronticelli, C, Bucci, E, Gilliland, G.L.
Deposit date:1995-08-29
Release date:1996-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Positive and negative cooperativities at subsequent steps of oxygenation regulate the allosteric behavior of multistate sebacylhemoglobin.
Biochemistry, 35, 1996
1HUW
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BU of 1huw by Molmil
THE CRYSTAL STRUCTURE OF AFFINITY-MATURED HUMAN GROWTH HORMONE AT 2 ANGSTROMS RESOLUTION
Descriptor: HUMAN GROWTH HORMONE
Authors:Ultsch, M.H, Somers, W.S, Kossiakoff, A.A, De Vos, A.M.
Deposit date:1993-09-22
Release date:1994-01-31
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of affinity-matured human growth hormone at 2 A resolution.
J.Mol.Biol., 236, 1994
1HXQ
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BU of 1hxq by Molmil
THE STRUCTURE OF NUCLEOTIDYLATED GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE FROM ESCHERICHIA COLI AT 1.86 ANGSTROMS RESOLUTION
Descriptor: FE (III) ION, HEXOSE-1-PHOSPHATE URIDYLYLTRANSFERASE, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Wedekind, J.E, Frey, P.A, Rayment, I.
Deposit date:1996-06-16
Release date:1997-10-22
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The structure of nucleotidylated histidine-166 of galactose-1-phosphate uridylyltransferase provides insight into phosphoryl group transfer.
Biochemistry, 35, 1996
1DY2
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BU of 1dy2 by Molmil
Murine collagen alpha1(XV), endostatin domain
Descriptor: COLLAGEN ALPHA1(XV) CHAIN, SULFATE ION
Authors:Tisi, D, Hohenester, E, Sasaki, T, Timpl, R.
Deposit date:2000-01-21
Release date:2001-01-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Endostatin Derived from Collagens Xv and Xviii Differ in Structural and Binding Properties, Tissue Distribution and Anti-Angiogenic Activity
J.Mol.Biol., 301, 2000
4JHT
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BU of 4jht by Molmil
Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1)
Descriptor: 8-hydroxyquinoline-5-carboxylic acid, ACETATE ION, Alpha-ketoglutarate-dependent dioxygenase AlkB, ...
Authors:Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-03-05
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
5RHD
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BU of 5rhd by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with SF013 (Mpro-x2193)
Descriptor: 1-[4-(methylsulfonyl)phenyl]piperazine, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, Keeley, A, Keseru, G.M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-05-16
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020

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