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1GYK
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BU of 1gyk by Molmil
Serum Amyloid P Component co-crystallised with MOBDG at neutral pH
Descriptor: CALCIUM ION, METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE, SERUM AMYLOID P-COMPONENT
Authors:Thompson, D, Pepys, M.B, Tickle, I, Wood, S.P.
Deposit date:2002-04-25
Release date:2003-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structures of Crystalline Complexes of Human Serum Amyloid P Component with its Carbohydrate Ligand, the Cyclic Pyruvate Acetal of Galactose
J.Mol.Biol., 320, 2002
7SQB
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BU of 7sqb by Molmil
PPAR gamma LBD bound to Inverse Agonist SR10221
Descriptor: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Pederick, J.L, Bruning, J.B.
Deposit date:2021-11-05
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
7SQA
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BU of 7sqa by Molmil
PPAR gamma LBD bound to SR10221 and SMRT corepressor motif
Descriptor: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Pederick, J.L, Bruning, J.B.
Deposit date:2021-11-05
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
8P2R
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BU of 8p2r by Molmil
Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
Descriptor: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-05-16
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
1VE9
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BU of 1ve9 by Molmil
Porcine kidney D-amino acid oxidase
Descriptor: BENZOIC ACID, D-amino acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Mizutani, H, Miyahara, I, Hirotsu, K, Nishina, Y, Shiga, K, Setoyama, C, Miura, R.
Deposit date:2004-03-29
Release date:2004-04-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of porcine kidney D-amino acid oxidase at 3.0 A resolution.
J.Biochem., 120, 1996
7QLT
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BU of 7qlt by Molmil
Endothiapepsin in complex with ligand TL00150 in 10% DMSO at 100K
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
6Y98
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BU of 6y98 by Molmil
Crystal Structure of subtype-switched Epithelial Adhesin 9 to 1 A domain (Epa9-CBL2Epa1) from Candida glabrata in complex with beta-lactose
Descriptor: CALCIUM ION, PA14 domain-containing protein, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Hoffmann, D, Diderrich, R, Kock, M, Friederichs, S, Reithofer, V, Essen, L.-O, Moesch, H.-U.
Deposit date:2020-03-06
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Functional reprogramming ofCandida glabrataepithelial adhesins: the role of conserved and variable structural motifs in ligand binding.
J.Biol.Chem., 295, 2020
1W0X
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BU of 1w0x by Molmil
Crystal structure of human CDK2 in complex with the inhibitor olomoucine.
Descriptor: CYCLIN-DEPENDENT KINASE 2, OLOMOUCINE
Authors:Schulze-Gahmen, U, Meijer, L, Kim, S.-H.
Deposit date:2004-06-14
Release date:2005-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Modes of Ligand Recognition: Crystal Structures of Cyclin-Dependent Protein Kinase 2 in Complex with ATP and Two Inhibitors, Olomoucine and Isopentenyladenine.
Proteins, 22, 1995
6Y9J
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BU of 6y9j by Molmil
Crystal Structure of subtype-switched Epithelial Adhesin 1 to 9 A domain (Epa1-CBL2Epa9) from Candida glabrata in complex with beta-lactose
Descriptor: CALCIUM ION, CHLORIDE ION, Epa1p, ...
Authors:Hoffmann, D, Diderrich, R, Kock, M, Friederichs, S, Reithofer, V, Essen, L.-O, Moesch, H.-U.
Deposit date:2020-03-09
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Functional reprogramming ofCandida glabrataepithelial adhesins: the role of conserved and variable structural motifs in ligand binding.
J.Biol.Chem., 295, 2020
5A46
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BU of 5a46 by Molmil
FGFR1 in complex with dovitinib
Descriptor: 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
Authors:Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L.
Deposit date:2015-06-05
Release date:2015-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
8OZ2
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BU of 8oz2 by Molmil
Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-05-08
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
2ZSP
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BU of 2zsp by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser on [300 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-17
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZSQ
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BU of 2zsq by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [150 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-17
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZSZ
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BU of 2zsz by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [600 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZSF
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BU of 2zsf by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ATP and ADP
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-05
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
2ZSS
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BU of 2zss by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [300 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-17
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZT3
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BU of 2zt3 by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser on [750 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
3CFM
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BU of 3cfm by Molmil
Crystal structure of the apo form of human wild-type transthyretin
Descriptor: Transthyretin
Authors:Lima, L.-M.T.R, Foguel, D, Polikarpov, I.
Deposit date:2008-03-04
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of a novel ligand binding motif in the transthyretin channel.
Bioorg.Med.Chem., 18, 2010
2YZ3
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BU of 2yz3 by Molmil
Crystallographic Investigation of Inhibition Mode of the VIM-2 Metallo-beta-lactamase from Pseudomonas aeruginosa with Mercaptocarboxylate Inhibitor
Descriptor: (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID, Metallo-beta-lactamase, SULFATE ION, ...
Authors:Yamaguchi, Y, Yamagata, Y, Arakawa, Y, Kurosaki, H.
Deposit date:2007-05-02
Release date:2008-03-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic investigation of the inhibition mode of a VIM-2 metallo-beta-lactamase from Pseudomonas aeruginosa by a mercaptocarboxylate inhibitor.
J.Med.Chem., 50, 2007
5V6Y
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BU of 5v6y by Molmil
Crystal structure of the human CLR:RAMP1 extracellular domain heterodimer with bound high-affinity and altered selectivity adrenomedullin variant
Descriptor: ADM, Maltose-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Pioszak, A, Booe, J.
Deposit date:2017-03-17
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Probing the Mechanism of Receptor Activity-Modifying Protein Modulation of GPCR Ligand Selectivity through Rational Design of Potent Adrenomedullin and Calcitonin Gene-Related Peptide Antagonists.
Mol. Pharmacol., 93, 2018
5ZBI
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BU of 5zbi by Molmil
Crystal structure of asparaginyl endopeptidases from Viola Canadensis
Descriptor: Peptide asparaginyl ligase, SODIUM ION
Authors:Wong, Y.H, Lescar, J.
Deposit date:2018-02-12
Release date:2018-05-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of Peptide asparaginyl ligase from Viola canadensis
To Be Published
6JX6
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BU of 6jx6 by Molmil
Tetrameric form of Smac
Descriptor: Diablo homolog, mitochondrial
Authors:Sivaraman, J, Singh, S, Ng, J, Nayak, D.
Deposit date:2019-04-22
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Structural insights into a HECT-type E3 ligase AREL1 and its ubiquitination activitiesin vitro.
J.Biol.Chem., 294, 2019
2ZSD
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BU of 2zsd by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Coenzyme A
Descriptor: 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-05
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
2ZSY
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BU of 2zsy by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [750 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZSA
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BU of 2zsa by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP and Phosphopantothenate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-04
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009

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数据于2024-07-31公开中

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