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7ZY9
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BU of 7zy9 by Molmil
Structure of D165A/D167A double mutant of Chit33 from Trichoderma harzianum complexed with chitintetraose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endochitinase 33
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2022-05-24
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material.
Int J Mol Sci, 23, 2022
5BRO
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BU of 5bro by Molmil
Crystal structure of modified HexB (modB)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ...
Authors:Kitakaze, K, Maita, N, Itoh, K.
Deposit date:2015-06-01
Release date:2016-05-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model.
J.Clin.Invest., 126, 2016
6WU6
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BU of 6wu6 by Molmil
succinate-coenzyme Q reductase
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Lyu, M, Su, C.-C, Morgan, C.E, Yu, E.W.
Deposit date:2020-05-04
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
5Z3F
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BU of 5z3f by Molmil
Glycosidase E335A in complex with glucose
Descriptor: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein, ...
Authors:Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
Deposit date:2018-01-05
Release date:2019-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
6WV3
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BU of 6wv3 by Molmil
Human VKOR with warfarin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, S-WARFARIN, Vitamin K epoxide reductase, ...
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WVI
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BU of 6wvi by Molmil
VKOR-like from Takifugu rubripes
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-06
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
7ZYA
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BU of 7zya by Molmil
Structure of Chit33 from Trichoderma harzianum.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endochitinase 33, ...
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2022-05-24
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material.
Int J Mol Sci, 23, 2022
1LM8
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BU of 1lm8 by Molmil
Structure of a HIF-1a-pVHL-ElonginB-ElonginC Complex
Descriptor: ELONGIN B, ELONGIN C, Hypoxia-inducible factor 1 alpha, ...
Authors:Min, J.-H, Yang, H, Ivan, M, Gertler, F, Kaelin JR, W.G, Pavletich, N.P.
Deposit date:2002-04-30
Release date:2002-06-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of an HIF-1alpha -pVHL complex: hydroxyproline recognition in signaling.
Science, 296, 2002
6WW2
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BU of 6ww2 by Molmil
Structure of human Frizzled5 by fiducial-assisted cryo-EM
Descriptor: Frizzled-5,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
Authors:Tsutsumi, N, Jude, K.M, Gati, C, Garcia, K.C.
Deposit date:2020-05-07
Release date:2020-08-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of human Frizzled5 by fiducial-assisted cryo-EM supports a heterodimeric mechanism of canonical Wnt signaling.
Elife, 9, 2020
5BCA
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BU of 5bca by Molmil
BETA-AMYLASE FROM BACILLUS CEREUS VAR. MYCOIDES
Descriptor: CALCIUM ION, PROTEIN (1,4-ALPHA-D-GLUCAN MALTOHYDROLASE.)
Authors:Oyama, T, Kusunoki, M, Kishimoto, Y, Takasaki, Y, Nitta, Y.
Deposit date:1999-03-12
Release date:2000-03-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of beta-amylase from Bacillus cereus var. mycoides at 2.2 A resolution.
J.Biochem.(Tokyo), 125, 1999
7ZIG
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BU of 7zig by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-060
Descriptor: (2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, Tryptophan 5-hydroxylase 1
Authors:Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
Deposit date:2022-04-08
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.808885 Å)
Cite:Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
5Z5I
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BU of 5z5i by Molmil
Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 in complex with L-arabinose and D-xylose
Descriptor: Beta-xylosidase, CALCIUM ION, alpha-D-xylopyranose, ...
Authors:Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W.
Deposit date:2018-01-18
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08.
PLoS ONE, 13, 2018
5BKA
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BU of 5bka by Molmil
2.1 Angstrom structure of ActVI-ORFA from Streptomyces Coelicolor
Descriptor: Hydroxylacyl-CoA dehydrogenase
Authors:Vuksanovic, N, Silvaggi, N.R.
Deposit date:2019-06-02
Release date:2020-06-03
Last modified:2020-09-02
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural characterization of three noncanonical NTF2-like superfamily proteins: implications for polyketide biosynthesis.
Acta Crystallogr.,Sect.F, 76, 2020
3Q90
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BU of 3q90 by Molmil
Crystal structure of the NTF2 domain of Ras GTPase-activating protein-binding protein 1
Descriptor: Ras GTPase-activating protein-binding protein 1
Authors:Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2011-01-07
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the NTF2 domain of Ras GTPase-activating protein-binding protein 1
To be Published
1DFV
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BU of 1dfv by Molmil
CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL GELATINASE ASSOCIATED LIPOCALIN MONOMER
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HUMAN NEUTROPHIL GELATINASE, ...
Authors:Goetz, D.H, Willie, S.T, Armen, R.S, Bratt, T, Borregaard, N, Strong, R.K.
Deposit date:1999-11-22
Release date:2000-03-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ligand preference inferred from the structure of neutrophil gelatinase associated lipocalin
Biochemistry, 39, 2000
7ZIF
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BU of 7zif by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-480
Descriptor: (2R)-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3H-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, GLYCEROL, ...
Authors:Schuetz, A, Ziebart, N, Weise, M, Mallow, K, Pfeifer, J, Nazare, M, Specker, E, Heinemann, U.
Deposit date:2022-04-08
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86859715 Å)
Cite:Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
7ZV3
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BU of 7zv3 by Molmil
Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0472
Descriptor: 4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
Authors:Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V.
Deposit date:2022-05-13
Release date:2022-07-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors.
J Enzyme Inhib Med Chem, 37, 2022
8IM2
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BU of 8im2 by Molmil
Crystal structure of human HPPD complexed with NTBC
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, ...
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2023-03-05
Release date:2023-10-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Structure, 31, 2023
5Z73
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BU of 5z73 by Molmil
Crystal structure of alkaline/neutral invertase InvB from Anabaena sp. PCC 7120
Descriptor: Alr0819 protein, GLYCEROL
Authors:Xie, J, Hu, H.X, Cai, K, Yang, F, Jiang, Y.L, Chen, Y, Zhou, C.Z.
Deposit date:2018-01-27
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and enzymatic analyses of Anabaena heterocyst-specific alkaline invertase InvB.
FEBS Lett., 592, 2018
5Z7P
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BU of 5z7p by Molmil
SmChiA sliding-intermediate with chitotriose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A, GLYCEROL
Authors:Nakamura, A, Iino, R.
Deposit date:2018-01-30
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin.
Nat Commun, 9, 2018
7KSO
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BU of 7kso by Molmil
Cryo-EM structure of PRC2:EZH1-AEBP2-JARID2
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ...
Authors:Grau, D.J, Armache, K.J.
Deposit date:2020-11-23
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
6WVH
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BU of 6wvh by Molmil
Human VKOR with Brodifacoum
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Brodifacoum, Vitamin K epoxide reductase, ...
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-06
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
1USL
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BU of 1usl by Molmil
Structure Of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, Complexed With Phosphate.
Descriptor: PHOSPHATE ION, RIBOSE 5-PHOSPHATE ISOMERASE B
Authors:Roos, A.K, Andersson, C.E, Unge, T, Jones, T.A, Mowbray, S.L.
Deposit date:2003-11-25
Release date:2004-01-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase Has a Known Fold, But a Novel Active Site
J.Mol.Biol., 335, 2004
5VNQ
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BU of 5vnq by Molmil
Neutron crystallographic structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature
Descriptor: CHLORIDE ION, Endolysin
Authors:Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J.
Deposit date:2017-05-01
Release date:2017-07-26
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Neutron crystallographic studies of T4 lysozyme at cryogenic temperature.
Protein Sci., 26, 2017
1AZM
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BU of 1azm by Molmil
DRUG-PROTEIN INTERACTIONS: STRUCTURE OF SULFONAMIDE DRUG COMPLEXED WITH HUMAN CARBONIC ANHYDRASE I
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE I, ZINC ION
Authors:Chakravarty, S, Kannan, K.K.
Deposit date:1993-11-28
Release date:1994-04-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Drug-protein interactions. Refined structures of three sulfonamide drug complexes of human carbonic anhydrase I enzyme.
J.Mol.Biol., 243, 1994

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