5PAN
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![BU of 5pan by Molmil](/molmil-images/mine/5pan) | Crystal Structure of Factor VIIa in complex with 5-hydroxy-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide | Descriptor: | 5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | Deposit date: | 2016-11-10 | Release date: | 2017-06-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal Structure of a Factor VIIa complex To be published
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7WB9
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![BU of 7wb9 by Molmil](/molmil-images/mine/7wb9) | Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Chlorotryptamine at Room Temperature | Descriptor: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WA0
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![BU of 7wa0 by Molmil](/molmil-images/mine/7wa0) | Crystal structure of Bovine Pancreatic Trypsin in complex with Benzamidine at Room Temperature | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-11 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WA2
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![BU of 7wa2 by Molmil](/molmil-images/mine/7wa2) | Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Methoxybenzamidine at Room Temperature | Descriptor: | 4-methoxybenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-11 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WBA
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![BU of 7wba by Molmil](/molmil-images/mine/7wba) | Crystal structure of Bovine Pancreatic Trypsin in complex with Tryptamine at Room Temperature | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7W79
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![BU of 7w79 by Molmil](/molmil-images/mine/7w79) | Heme exporter HrtBA in complex with Mn-AMPPNP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Putative ABC transport system integral membrane protein, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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7WB7
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![BU of 7wb7 by Molmil](/molmil-images/mine/7wb7) | Crystal structure of Bovine Pancreatic Trypsin in complex with Serotonin at Room Temperature | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7W7A
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![BU of 7w7a by Molmil](/molmil-images/mine/7w7a) | Heme exporter in complex with Mn-containing protoporphyrin IX, Mn-anomalous data | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.204 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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3D2M
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![BU of 3d2m by Molmil](/molmil-images/mine/3d2m) | Crystal structure of N-acetylglutamate synthase from Neisseria gonorrhoeae complexed with coenzyme A and L-glutamate | Descriptor: | COENZYME A, GLUTAMIC ACID, Putative acetylglutamate synthase | Authors: | Shi, D, Min, L, Jin, Z, Allewell, N.M, Tuchman, M. | Deposit date: | 2008-05-08 | Release date: | 2008-12-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Mechanism of Allosteric Inhibition of N-Acetyl-L-glutamate Synthase by L-Arginine. J.Biol.Chem., 284, 2009
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3D31
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![BU of 3d31 by Molmil](/molmil-images/mine/3d31) | ModBC from Methanosarcina acetivorans | Descriptor: | Sulfate/molybdate ABC transporter, ATP-binding protein, permease protein, ... | Authors: | Gerber, S, Comellas-Bigler, M, Locher, K.P. | Deposit date: | 2008-05-09 | Release date: | 2008-06-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of trans-inhibition in a molybdate/tungstate ABC transporter. Science, 321, 2008
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7W7D
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![BU of 7w7d by Molmil](/molmil-images/mine/7w7d) | Heme exporter HrtBA in complex with heme | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative ABC transport system integral membrane protein, Putative ABC transport system, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shiro, Y, Shirouzu, M. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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7W78
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![BU of 7w78 by Molmil](/molmil-images/mine/7w78) | Heme exporter HrtBA in complex with Mg-AMPPNP | Descriptor: | ACETATE ION, DODECANE, GLYCEROL, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.884 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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7W7B
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![BU of 7w7b by Molmil](/molmil-images/mine/7w7b) | Heme exporter HrtBA in complex with protoporphyrin IX containing manganese(III), high resolution data | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING MN, ... | Authors: | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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3CUF
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![BU of 3cuf by Molmil](/molmil-images/mine/3cuf) | |
7W7C
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![BU of 7w7c by Molmil](/molmil-images/mine/7w7c) | Heme exporter in the unliganded form | Descriptor: | Putative ABC transport system integral membrane protein, Putative ABC transport system, ATP-binding protein, ... | Authors: | Rahman, M.M, Hisano, T, Nakamura, H, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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3CKI
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![BU of 3cki by Molmil](/molmil-images/mine/3cki) | Crystal structure of the TACE-N-TIMP-3 complex | Descriptor: | ADAM 17, Metalloproteinase inhibitor 3, SODIUM ION, ... | Authors: | Wisniewska, M, Goettig, P, Maskos, K, Belouski, E, Winters, D, Hecht, R, Black, R, Bode, W. | Deposit date: | 2008-03-15 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural determinants of the ADAM inhibition by TIMP-3: crystal structure of the TACE-N-TIMP-3 complex. J.Mol.Biol., 381, 2008
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3CNU
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![BU of 3cnu by Molmil](/molmil-images/mine/3cnu) | Crystal structure of the predicted coding region AF_1534 from Archaeoglobus fulgidus | Descriptor: | Predicted coding region AF_1534 | Authors: | Zhang, R, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-03-26 | Release date: | 2008-04-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of the predicted coding region AF_1534 from Archaeoglobus fulgidus. To be Published
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3CY6
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![BU of 3cy6 by Molmil](/molmil-images/mine/3cy6) | Crystal Structure of E18Q DJ-1 | Descriptor: | Protein DJ-1 | Authors: | Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hasim, S, Pozharski, E, Wilson, M.A. | Deposit date: | 2008-04-25 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Cysteine pKa depression by a protonated glutamic acid in human DJ-1. Biochemistry, 47, 2008
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3CPS
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![BU of 3cps by Molmil](/molmil-images/mine/3cps) | Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase | Descriptor: | Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2008-04-01 | Release date: | 2008-04-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase. To be Published
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7WMC
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![BU of 7wmc by Molmil](/molmil-images/mine/7wmc) | Crystal structure of macrocyclic peptide 1 bound to human Nicotinamide N-methyltransferase | Descriptor: | Nicotinamide N-methyltransferase, Peptide1 | Authors: | Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-08-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides. J.Med.Chem., 65, 2022
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3CJ1
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![BU of 3cj1 by Molmil](/molmil-images/mine/3cj1) | Structure of Rattus norvegicus NTPDase2 | Descriptor: | Ectonucleoside triphosphate diphosphohydrolase 2 | Authors: | Zebisch, M, Strater, N. | Deposit date: | 2008-03-12 | Release date: | 2008-04-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling Proc.Natl.Acad.Sci.Usa, 105, 2008
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3CRK
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![BU of 3crk by Molmil](/molmil-images/mine/3crk) | Crystal structure of the PDHK2-L2 complex. | Descriptor: | Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, POTASSIUM ION, ... | Authors: | Green, T.J, Popov, K.M, Luo, M, Grigorian, A, Klyuyeva, A, Tuganova, A. | Deposit date: | 2008-04-07 | Release date: | 2008-04-29 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional insights into the molecular mechanisms responsible for the regulation of pyruvate dehydrogenase kinase 2. J.Biol.Chem., 283, 2008
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3CJA
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![BU of 3cja by Molmil](/molmil-images/mine/3cja) | |
7WMT
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![BU of 7wmt by Molmil](/molmil-images/mine/7wmt) | Crystal structure of small molecule 13 bound to human Nicotinamide N-methyltransferase | Descriptor: | Nicotinamide N-methyltransferase, [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone | Authors: | Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-31 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides. J.Med.Chem., 65, 2022
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7W7H
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![BU of 7w7h by Molmil](/molmil-images/mine/7w7h) | S Suis FakA-FakB2 complex structure | Descriptor: | OLEIC ACID, Predicted kinase related to dihydroxyacetone kinase, SULFATE ION, ... | Authors: | Shi, Y, Zang, N, Lou, N, Xu, Y, Sun, J, Huang, M, Zhang, H, Lu, H, Zhou, C, Feng, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and mechanism for streptococcal fatty acid kinase (Fak) system dedicated to host fatty acid scavenging. Sci Adv, 8, 2022
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